ChemDiv1_006224
TL;DR: ChemDiv1_006224 (CAS 347350-92-9) is a chemical compound with molecular formula C27H25BrN2O3 and molecular weight 504.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-bromo-5-ethoxy-4-hydroxyphenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_006224, BIM-0047854.P001, 11-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 6-(3-bromo-5-ethoxy-4-hydroxyphenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 11-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-phenyl-2,3,4-trihydro-5H,10H,11H-benzo [b]benzo[2,1-f]1,4-diazepin-1-one
| Molecular Formula | C27H25BrN2O3 |
|---|---|
| Molecular Weight | 504.10 g/mol |
| LogP | 6.5329 |
| Topological Polar Surface Area | 70.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 504.10486 |
| Heavy Atoms | 33 |
| Complexity | 1239.3688 |
Chemical Identifiers
| CAS Number | 347350-92-9 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC5=CC=CC=C5N2)Br)O |
Product Overview
ChemDiv1_006224 (CAS 347350-92-9), with molecular formula C27H25BrN2O3 and molecular weight 504.10 g/mol. IUPAC: 6-(3-bromo-5-ethoxy-4-hydroxyphenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_006224
Property Insights of ChemDiv1_006224
The XLogP value of 6.5329 indicates that ChemDiv1_006224 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.59 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006224. Following Lipinski's Rule of Five, ChemDiv1_006224 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_006224?
The CAS number of ChemDiv1_006224 is 347350-92-9.
What is the molecular formula of ChemDiv1_006224?
The molecular formula of ChemDiv1_006224 is C27H25BrN2O3.
What is the molecular weight of ChemDiv1_006224?
The molecular weight of ChemDiv1_006224 is 504.10 g/mol.
Where can I buy ChemDiv1_006224?
You can request a quote for ChemDiv1_006224 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006224?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006224 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.