ChemDiv1_003713
TL;DR: ChemDiv1_003713 (CAS 332861-39-9) is a chemical compound with molecular formula C32H35N3O3 and molecular weight 509.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-6-[4-(diethylamino)phenyl]-9-(4-methoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_003713, BAS 01849522, 10-acetyl-11-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 5-acetyl-6-[4-(diethylamino)phenyl]-9-(4-methoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one, 10-acetyl-11-(4-(diethylamino)phenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C32H35N3O3 |
|---|---|
| Molecular Weight | 509.27 g/mol |
| LogP | 6.4619 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 509.26785 |
| Heavy Atoms | 38 |
| Complexity | 1357.457 |
Chemical Identifiers
| CAS Number | 332861-39-9 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC5=CC=CC=C5N2C(=O)C |
Product Overview
ChemDiv1_003713 (CAS 332861-39-9), with molecular formula C32H35N3O3 and molecular weight 509.27 g/mol. IUPAC: 5-acetyl-6-[4-(diethylamino)phenyl]-9-(4-methoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_003713
Property Insights of ChemDiv1_003713
The XLogP value of 6.4619 indicates that ChemDiv1_003713 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003713. Following Lipinski's Rule of Five, ChemDiv1_003713 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_003713?
The CAS number of ChemDiv1_003713 is 332861-39-9.
What is the molecular formula of ChemDiv1_003713?
The molecular formula of ChemDiv1_003713 is C32H35N3O3.
What is the molecular weight of ChemDiv1_003713?
The molecular weight of ChemDiv1_003713 is 509.27 g/mol.
Where can I buy ChemDiv1_003713?
You can request a quote for ChemDiv1_003713 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003713?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003713 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.