Research chemical
(S)-2-((9-([1,1'-biphenyl]-4-ylmethyl)-2-((2,3-dihydro-1H-inden-5-yl)oxy)-9H-purin-6-yl)amino)-3-phenylpropan-1-ol
CAS Number: 944328-88-5
![(S)-2-((9-([1,1'-biphenyl]-4-ylmethyl)-2-((2,3-dihydro-1H-inden-5-yl)oxy)-9H-purin-6-yl)amino)-3-phenylpropan-1-ol molecular structure, CAS 944328-88-5](/structure-images/944328-88-5.png?v=struct-v3)
Product details
Identity & specification
- Molecular formula
- C36H33N5O2
- Molecular weight
- 567.7 g/mol
- Product type
- Research-use catalog compound
- Documentation
- COA / SDS available by request
For laboratory research and professional procurement workflows.
Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
PubChem CID
42623900
Exact Mass
567.263425
InChIKey
DOKZLKDGUQWMSX-HKBQPEDESA-N
IUPAC Name
(2S)-2-[[2-(2,3-dihydro-1H-inden-5-yloxy)-9-[(4-phenylphenyl)methyl]purin-6-yl]amino]-3-phenylpropan-1-ol
SMILES String
OC[C@H](Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1
Physical Properties
No physical property values available.
Show more physical data
XLogP
7.6
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
43
H-bond acceptors
7
H-bond donors
2
Rotatable bonds
10
Ring count
7
Aromatic rings
6
Topological polar surface area
85.09 Ų
Computed LogP
6.84
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Catalog Facts
Structural features
(S)-2-((9-([1,1'-biphenyl]-4-ylmethyl)-2-((2,3-dihydro-1H-inden-5-yl)oxy)-9H-purin-6-yl)amino)-3-phenylpropan-1-ol (CAS 944328-88-5) is listed in the Advanced Chemicals portfolio, with molecular formula C36H33N5O2 and molecular weight 567. 70 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
SDS signal word: Warning; hazard codes: H317, H319; For research use only.
Applications & Classification
Biological target reference
ChEMBL reports experimental activity evidence for: ADP-ribosylation factor GTPase-activating protein 1 (Homo sapiens) — 2 assays; ADP-ribosylation factor GTPase-activating protein 1 (Rattus norvegicus) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
ADP-ribosylation factor GTPase-activating protein 1
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 6.3
Experimental evidence source: ChEMBL
ADP-ribosylation factor GTPase-activating protein 1
Rattus norvegicus · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Safety & Handling
PPE
First Aid
- Do not give anything to an unconscious person.
- Rinse mouth with water.
Stability / Reactivity
- Reactivity and stability.
- Carbon monoxide, carbon dioxide, nitrogen oxides.
Disposal
- The product and remaining solutions should be handed over to a licensed company for disposal.
- Contact a professional institution with a waste disposal license to handle this substance.
Show additional safety reference fields
Fire Fighting
- If necessary, wear a self-contained breathing apparatus for firefighting.
Accidental Release
- Do not generate dust when collecting and disposing.
- Sweep and shovel up.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestProcurement notes
Sourcing context and documentation notes
Show details
Procurement notes
Sourcing context and documentation notes
MolGraph uses public price and availability evidence as a starting point, then confirms current stock, quotation, COA/SDS, lot specification, lead time, and shipment documentation before final acceptance.
Package and specification
Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.
Final lot confirmation
Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.
Supply documentation
Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.
Quotation review
Final quote depends on quantity, lead time, destination, and supplier confirmation.
Procurement questions
Is CAS 944328-88-5 in stock?
(S)-2-((9-([1,1'-biphenyl]-4-ylmethyl)-2-((2,3-dihydro-1H-inden-5-yl)oxy)-9H-purin-6-yl)amino)-3-phenylpropan-1-ol is in stock. Estimated delivery: 5–9 business days. Submit an RFQ to confirm final price, lot specification, documentation, and destination-specific shipping terms.
How is the final price confirmed?
The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.
Can MolGraph provide COA or SDS for CAS 944328-88-5?
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.