Research chemical
CAS Number: 347350-92-9
![6-(3-Bromo-5-ethoxy-4-hydroxyphenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one molecular structure, CAS 347350-92-9](/structure-images/347350-92-9.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
2892077
Exact Mass
504.10486
InChIKey
BSKBNXHQNOUPBV-UHFFFAOYSA-N
SMILES String
CCOc1cc(C2Nc3ccccc3NC3=C2C(=O)CC(c2ccccc2)C3)cc(Br)c1O
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
6-(3-Bromo-5-ethoxy-4-hydroxyphenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one is identified by CAS 347350-92-9, with molecular formula C27H25BrN2O3, molecular weight 505.4, InChIKey BSKBNXHQNOUPBV-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
33
H-bond acceptors
5
H-bond donors
3
Rotatable bonds
4
Ring count
5
Aromatic rings
3
Topological polar surface area
70.59 Ų
Computed LogP
6.53
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
6-(3-Bromo-5-ethoxy-4-hydroxyphenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one (CAS 347350-92-9) is maintained as a commercial cas reference with formula C27H25BrN2O3, molecular weight 505. 40 g/mol, PubChem CID 2892077.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
Review supplier documentation before handling; 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.