ChemDiv1_003673
TL;DR: ChemDiv1_003673 (CAS 312622-35-8) is a chemical compound with molecular formula C26H22ClN3O4 and molecular weight 475.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-chloro-3-nitrophenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_003673, BIM-0041935.P001, 11-(4-chloro-3-nitrophenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 6-(4-chloro-3-nitrophenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 10-(4-chloro-3-nitrophenyl)-14-(4-methoxyphenyl)-2,9-diazatricyclo[9.4.0.0(3),?]pentadeca-1(11),3,5,7-tetraen-12-one
| Molecular Formula | C26H22ClN3O4 |
|---|---|
| Molecular Weight | 475.13 g/mol |
| LogP | 6.2363 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 475.12988 |
| Heavy Atoms | 34 |
| Complexity | 1319.876 |
Chemical Identifiers
| CAS Number | 312622-35-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=C(C=C5)Cl)[N+](=O)[O-])C(=O)C2 |
Product Overview
ChemDiv1_003673 (CAS 312622-35-8), with molecular formula C26H22ClN3O4 and molecular weight 475.13 g/mol. IUPAC: 6-(4-chloro-3-nitrophenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_003673
Property Insights of ChemDiv1_003673
The XLogP value of 6.2363 indicates that ChemDiv1_003673 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003673. Following Lipinski's Rule of Five, ChemDiv1_003673 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_003673?
The CAS number of ChemDiv1_003673 is 312622-35-8.
What is the molecular formula of ChemDiv1_003673?
The molecular formula of ChemDiv1_003673 is C26H22ClN3O4.
What is the molecular weight of ChemDiv1_003673?
The molecular weight of ChemDiv1_003673 is 475.13 g/mol.
Where can I buy ChemDiv1_003673?
You can request a quote for ChemDiv1_003673 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003673?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003673 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.