ChemDiv1_006648
TL;DR: ChemDiv1_006648 (CAS 347352-79-8) is a chemical compound with molecular formula C25H20BrFN2O and molecular weight 462.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-bromo-4-fluorophenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_006648, BIM-0033029.P001, A2380/0100656, 11-(3-bromo-4-fluorophenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 11-(3-bromo-4-fluorophenyl)-3-phenyl-2,3,4-trihydro-5H,10H,11H-benzo[b]benzo[2 ,1-f]1,4-diazepin-1-one
| Molecular Formula | C25H20BrFN2O |
|---|---|
| Molecular Weight | 462.07 g/mol |
| LogP | 6.5677 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 462.0743 |
| Heavy Atoms | 30 |
| Complexity | 1158.8201 |
Chemical Identifiers
| CAS Number | 347352-79-8 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1NC3=CC=CC=C3NC2C4=CC(=C(C=C4)F)Br)C5=CC=CC=C5 |
Product Overview
ChemDiv1_006648 (CAS 347352-79-8), with molecular formula C25H20BrFN2O and molecular weight 462.07 g/mol. IUPAC: 6-(3-bromo-4-fluorophenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_006648
Property Insights of ChemDiv1_006648
The XLogP value of 6.5677 indicates that ChemDiv1_006648 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, ChemDiv1_006648 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_006648 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_006648?
The CAS number of ChemDiv1_006648 is 347352-79-8.
What is the molecular formula of ChemDiv1_006648?
The molecular formula of ChemDiv1_006648 is C25H20BrFN2O.
What is the molecular weight of ChemDiv1_006648?
The molecular weight of ChemDiv1_006648 is 462.07 g/mol.
Where can I buy ChemDiv1_006648?
You can request a quote for ChemDiv1_006648 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006648?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006648 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.