ChemDiv1_004108
TL;DR: ChemDiv1_004108 (CAS 312698-18-3) is a chemical compound with molecular formula C28H27BrN2O4 and molecular weight 534.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-bromo-4,5-dimethoxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_004108, BIM-0002253.P001, 11-(2-bromo-4,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 6-(2-bromo-4,5-dimethoxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 10-(2-bromo-4,5-dimethoxyphenyl)-14-(4-methoxyphenyl)-2,9-diazatricyclo[9.4.0.0(3),?]pentadeca-1(11),3,5,7-tetraen-12-one
| Molecular Formula | C28H27BrN2O4 |
|---|---|
| Molecular Weight | 534.12 g/mol |
| LogP | 6.4544 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 534.1154 |
| Heavy Atoms | 35 |
| Complexity | 1302.8094 |
Chemical Identifiers
| CAS Number | 312698-18-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=C(C=C5Br)OC)OC)C(=O)C2 |
Product Overview
ChemDiv1_004108 (CAS 312698-18-3), with molecular formula C28H27BrN2O4 and molecular weight 534.12 g/mol. IUPAC: 6-(2-bromo-4,5-dimethoxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_004108
Property Insights of ChemDiv1_004108
The XLogP value of 6.4544 indicates that ChemDiv1_004108 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004108. Following Lipinski's Rule of Five, ChemDiv1_004108 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_004108?
The CAS number of ChemDiv1_004108 is 312698-18-3.
What is the molecular formula of ChemDiv1_004108?
The molecular formula of ChemDiv1_004108 is C28H27BrN2O4.
What is the molecular weight of ChemDiv1_004108?
The molecular weight of ChemDiv1_004108 is 534.12 g/mol.
Where can I buy ChemDiv1_004108?
You can request a quote for ChemDiv1_004108 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004108?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004108 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.