ChemDiv1_002711
TL;DR: ChemDiv1_002711 (CAS 5975-26-8) is a chemical compound with molecular formula C26H23BrN2O2 and molecular weight 474.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-bromophenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_002711, BAS 01296197, BIM-0013963.P001, 11-(3-bromophenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 6-(3-bromophenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C26H23BrN2O2 |
|---|---|
| Molecular Weight | 474.09 g/mol |
| LogP | 6.4372 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 474.0943 |
| Heavy Atoms | 31 |
| Complexity | 1170.0343 |
Chemical Identifiers
| CAS Number | 5975-26-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=CC=C5)Br)C(=O)C2 |
Product Overview
ChemDiv1_002711 (CAS 5975-26-8), with molecular formula C26H23BrN2O2 and molecular weight 474.09 g/mol. IUPAC: 6-(3-bromophenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_002711
Property Insights of ChemDiv1_002711
The XLogP value of 6.4372 indicates that ChemDiv1_002711 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, ChemDiv1_002711 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_002711 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002711?
The CAS number of ChemDiv1_002711 is 5975-26-8.
What is the molecular formula of ChemDiv1_002711?
The molecular formula of ChemDiv1_002711 is C26H23BrN2O2.
What is the molecular weight of ChemDiv1_002711?
The molecular weight of ChemDiv1_002711 is 474.09 g/mol.
Where can I buy ChemDiv1_002711?
You can request a quote for ChemDiv1_002711 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002711?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002711 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.