ChemDiv1_005394
TL;DR: ChemDiv1_005394 (CAS 362000-77-9) is a chemical compound with molecular formula C31H32N2O4 and molecular weight 496.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-6-(4-methoxyphenyl)-9-(2-propoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_005394, 10-acetyl-11-(4-methoxyphenyl)-3-(2-propoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 5-acetyl-6-(4-methoxyphenyl)-9-(2-propoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C31H32N2O4 |
|---|---|
| Molecular Weight | 496.24 g/mol |
| LogP | 6.4045 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.2362 |
| Heavy Atoms | 37 |
| Complexity | 1345.3239 |
Chemical Identifiers
| CAS Number | 362000-77-9 |
|---|---|
| SMILES | CCCOC1=CC=CC=C1C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C)C5=CC=C(C=C5)OC)C(=O)C2 |
Product Overview
ChemDiv1_005394 (CAS 362000-77-9), with molecular formula C31H32N2O4 and molecular weight 496.24 g/mol. IUPAC: 5-acetyl-6-(4-methoxyphenyl)-9-(2-propoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_005394
Property Insights of ChemDiv1_005394
The XLogP value of 6.4045 indicates that ChemDiv1_005394 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005394. Following Lipinski's Rule of Five, ChemDiv1_005394 has 1 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_005394?
The CAS number of ChemDiv1_005394 is 362000-77-9.
What is the molecular formula of ChemDiv1_005394?
The molecular formula of ChemDiv1_005394 is C31H32N2O4.
What is the molecular weight of ChemDiv1_005394?
The molecular weight of ChemDiv1_005394 is 496.24 g/mol.
Where can I buy ChemDiv1_005394?
You can request a quote for ChemDiv1_005394 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005394?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005394 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.