ChemDiv1_009797
TL;DR: ChemDiv1_009797 (CAS 495374-79-3) is a chemical compound with molecular formula C31H35NO8 and molecular weight 549.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-(2,5-dimethoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
Also Known As: ChemDiv1_009797, AN-919/40736716, diethyl 4-(2,5-dimethoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate, diethyl 4-(2,5-dimethoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate, 3,6-DIETHYL 4-(2,5-DIMETHOXYPHENYL)-7-(2-METHOXYPHENYL)-2-METHYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3,6-DICARBOXYLATE
| Molecular Formula | C31H35NO8 |
|---|---|
| Molecular Weight | 549.24 g/mol |
| LogP | 4.4263 |
| Topological Polar Surface Area | 109.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 549.23627 |
| Heavy Atoms | 40 |
| Complexity | 1375.1404 |
Chemical Identifiers
| CAS Number | 495374-79-3 |
|---|---|
| SMILES | CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2)C)C(=O)OCC)C3=C(C=CC(=C3)OC)OC)C4=CC=CC=C4OC |
Product Overview
ChemDiv1_009797 (CAS 495374-79-3), with molecular formula C31H35NO8 and molecular weight 549.24 g/mol. IUPAC: diethyl 4-(2,5-dimethoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate.
Chemical Property Profile of ChemDiv1_009797
Property Insights of ChemDiv1_009797
The XLogP value of 4.4263 indicates that ChemDiv1_009797 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.39 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009797. Following Lipinski's Rule of Five, ChemDiv1_009797 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_009797?
The CAS number of ChemDiv1_009797 is 495374-79-3.
What is the molecular formula of ChemDiv1_009797?
The molecular formula of ChemDiv1_009797 is C31H35NO8.
What is the molecular weight of ChemDiv1_009797?
The molecular weight of ChemDiv1_009797 is 549.24 g/mol.
Where can I buy ChemDiv1_009797?
You can request a quote for ChemDiv1_009797 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009797?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009797 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.