ChemDiv1_005350
TL;DR: ChemDiv1_005350 (CAS 354538-70-8) 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.
9-(2-ethoxyphenyl)-6-(4-methoxyphenyl)-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_005350, A2615/0111212, 9-(2-ethoxyphenyl)-6-(4-methoxyphenyl)-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one, 3-(2-ethoxyphenyl)-11-(4-methoxyphenyl)-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 3-(2-ethoxyphenyl)-11-(4-methoxyphenyl)-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-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 | 354538-70-8 |
|---|---|
| SMILES | CCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=CC=C3OCC)NC4=CC=CC=C41)C5=CC=C(C=C5)OC |
Product Overview
ChemDiv1_005350 (CAS 354538-70-8), with molecular formula C31H32N2O4 and molecular weight 496.24 g/mol. IUPAC: 9-(2-ethoxyphenyl)-6-(4-methoxyphenyl)-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_005350
Property Insights of ChemDiv1_005350
The XLogP value of 6.4045 indicates that ChemDiv1_005350 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_005350. Following Lipinski's Rule of Five, ChemDiv1_005350 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_005350?
The CAS number of ChemDiv1_005350 is 354538-70-8.
What is the molecular formula of ChemDiv1_005350?
The molecular formula of ChemDiv1_005350 is C31H32N2O4.
What is the molecular weight of ChemDiv1_005350?
The molecular weight of ChemDiv1_005350 is 496.24 g/mol.
Where can I buy ChemDiv1_005350?
You can request a quote for ChemDiv1_005350 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005350?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005350 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.