Research chemical
C22H23F2NO2
CAS Number: 1008413-72-6
Product details
Identity & specification
- Molecular formula
- C22H23F2NO2
- Molecular weight
- 371.4 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
3775670
Exact Mass
371.169685
InChIKey
WVABFNXIPMDRAJ-UHFFFAOYSA-N
IUPAC Name
(3-fluorophenyl)-[1-(4-fluorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]methanone
SMILES String
O=C(c1cccc(F)c1)N1CCC2(O)CCCCC2C1c1ccc(F)cc1
Physical Properties
No physical property values available.
Show more physical data
XLogP
4.1
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
27
H-bond acceptors
3
H-bond donors
1
Rotatable bonds
2
Ring count
4
Aromatic rings
2
Topological polar surface area
40.54 Ų
Computed LogP
4.47
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
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
C22H23F2NO2 (CAS 1008413-72-6) is an English MolGraph catalog reference, molecular formula C22H23F2NO2 and molecular weight 371. 40 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page to review identity data, application tags, sourcing readiness, and RFQ context for heterocyclic building-block research, research chemical sourcing.
Documentation needs
Request supplier-issued SDS/COA before handling, storage, shipment, or procurement decisions. Public page content is for research catalog reference and does not replace supplier-issued safety documentation.
Applications & Classification
Safety & Handling
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Catalog navigation
Related Catalog Entries
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Procurement questions
What are the key identifiers for C22H23F2NO2 (CAS 1008413-72-6)?
C22H23F2NO2 is identified by CAS 1008413-72-6, with molecular formula C22H23F2NO2, molecular weight 371.4, InChIKey WVABFNXIPMDRAJ-UHFFFAOYSA-N.
Can I request a COA for CAS 1008413-72-6?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for C22H23F2NO2?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 1008413-72-6 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Can MolGraph support bulk sourcing or custom synthesis review?
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.