ChemDiv1_006092
TL;DR: ChemDiv1_006092 (CAS 4357-50-0) is a chemical compound with molecular formula C28H27N3O5 and molecular weight 485.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3,4-dimethoxyphenyl)-6-(4-methyl-3-nitrophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_006092, MixCom6_002580, BIM-0047630.P001, 3-(3,4-dimethoxyphenyl)-11-(4-methyl-3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 9-(3,4-dimethoxyphenyl)-6-(4-methyl-3-nitrophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C28H27N3O5 |
|---|---|
| Molecular Weight | 485.20 g/mol |
| LogP | 5.89992 |
| Topological Polar Surface Area | 102.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 485.19507 |
| Heavy Atoms | 36 |
| Complexity | 1397.6826 |
Chemical Identifiers
| CAS Number | 4357-50-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)NC5=CC=CC=C5N2)[N+](=O)[O-] |
Product Overview
ChemDiv1_006092 (CAS 4357-50-0), with molecular formula C28H27N3O5 and molecular weight 485.20 g/mol. IUPAC: 9-(3,4-dimethoxyphenyl)-6-(4-methyl-3-nitrophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_006092
Property Insights of ChemDiv1_006092
The XLogP value of 5.89992 indicates that ChemDiv1_006092 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.73 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006092. Following Lipinski's Rule of Five, ChemDiv1_006092 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_006092?
The CAS number of ChemDiv1_006092 is 4357-50-0.
What is the molecular formula of ChemDiv1_006092?
The molecular formula of ChemDiv1_006092 is C28H27N3O5.
What is the molecular weight of ChemDiv1_006092?
The molecular weight of ChemDiv1_006092 is 485.20 g/mol.
Where can I buy ChemDiv1_006092?
You can request a quote for ChemDiv1_006092 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006092?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006092 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.