ChemDiv1_009591
TL;DR: ChemDiv1_009591 (CAS 438239-03-3) is a chemical compound with molecular formula C27H29NO6S and molecular weight 495.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 7-(3-methoxyphenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
Also Known As: ChemDiv1_009591, AB00116403-01, AN-919/40736786, diethyl 7-(3-methoxyphenyl)-2-methyl-5-oxo-4-(2-thienyl)-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate, diethyl 7-(3-methoxyphenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
| Molecular Formula | C27H29NO6S |
|---|---|
| Molecular Weight | 495.17 g/mol |
| LogP | 4.4706 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.17157 |
| Heavy Atoms | 35 |
| Complexity | 1196.0135 |
Chemical Identifiers
| CAS Number | 438239-03-3 |
|---|---|
| SMILES | CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2)C)C(=O)OCC)C3=CC=CS3)C4=CC(=CC=C4)OC |
Product Overview
ChemDiv1_009591 (CAS 438239-03-3), with molecular formula C27H29NO6S and molecular weight 495.17 g/mol. IUPAC: diethyl 7-(3-methoxyphenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate.
Chemical Property Profile of ChemDiv1_009591
Property Insights of ChemDiv1_009591
The XLogP value of 4.4706 indicates that ChemDiv1_009591 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009591. Following Lipinski's Rule of Five, ChemDiv1_009591 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_009591?
The CAS number of ChemDiv1_009591 is 438239-03-3.
What is the molecular formula of ChemDiv1_009591?
The molecular formula of ChemDiv1_009591 is C27H29NO6S.
What is the molecular weight of ChemDiv1_009591?
The molecular weight of ChemDiv1_009591 is 495.17 g/mol.
Where can I buy ChemDiv1_009591?
You can request a quote for ChemDiv1_009591 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009591?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009591 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.