Research chemical
CAS Number: 1117903-80-6
![N-(9-[(3R,6R)-6-[(bis(4-methoxyphenyl)(phenyl)methoxy)methyl]-4-fluoro-5-hydroxyoxepan-3-yl]-9H-purin-6-yl)benzamide molecular structure, CAS 1117903-80-6](/structure-images/1117903-80-6.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
177927290
Exact Mass
703.280612
InChIKey
RNSDIKYHAPRSMQ-HKELJJDNSA-N
IUPAC Name
N-[9-[(3R,6R)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluoro-5-hydroxyoxepan-3-yl]purin-6-yl]benzamide
SMILES String
COc1ccc(C(OC[C@H]2COC[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)C(F)C2O)(c2ccccc2)c2ccc(OC)cc2)cc1
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
N-(9-[(3R,6R)-6-[(bis(4-methoxyphenyl)(phenyl)methoxy)methyl]-4-fluoro-5-hydroxyoxepan-3-yl]-9H-purin-6-yl)benzamide is identified by CAS 1117903-80-6, with molecular formula C40H38FN5O6, molecular weight 703.8, InChIKey RNSDIKYHAPRSMQ-HKELJJDNSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Appearance
Powder or crystals
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
52
H-bond acceptors
11
H-bond donors
2
Rotatable bonds
11
Ring count
7
Aromatic rings
6
Topological polar surface area
129.85 Ų
Computed LogP
5.99
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.
Structural features
N-(9-[(3R,6R)-6-[(bis(4-methoxyphenyl)(phenyl)methoxy)methyl]-4-fluoro-5-hydroxyoxepan-3-yl]-9H-purin-6-yl)benzamide (CAS 1117903-80-6) is maintained as a cataloged research chemical with formula C40H38FN5O6, molecular weight 703.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
Review supplier documentation before handling; hazard codes: H302, H315, H319; for research use only.
Safety and handling reference content is available through documentation requests.
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 Request