ChemDiv1_009799
TL;DR: ChemDiv1_009799 (CAS 438238-91-6) is a chemical compound with molecular formula C29H30ClNO6 and molecular weight 523.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-(2-chlorophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
Also Known As: ChemDiv1_009799, AN-919/40736724, diethyl 4-(2-chlorophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate, 3,6-DIETHYL 4-(2-CHLOROPHENYL)-7-(4-METHOXYPHENYL)-2-METHYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3,6-DICARBOXYLATE, diethyl 4-(2-chlorophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
| Molecular Formula | C29H30ClNO6 |
|---|---|
| Molecular Weight | 523.18 g/mol |
| LogP | 5.0625 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 523.17615 |
| Heavy Atoms | 37 |
| Complexity | 1279.557 |
Chemical Identifiers
| CAS Number | 438238-91-6 |
|---|---|
| SMILES | CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2)C)C(=O)OCC)C3=CC=CC=C3Cl)C4=CC=C(C=C4)OC |
Product Overview
ChemDiv1_009799 (CAS 438238-91-6), with molecular formula C29H30ClNO6 and molecular weight 523.18 g/mol. IUPAC: diethyl 4-(2-chlorophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate.
Chemical Property Profile of ChemDiv1_009799
Property Insights of ChemDiv1_009799
The XLogP value of 5.0625 indicates that ChemDiv1_009799 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_009799. Following Lipinski's Rule of Five, ChemDiv1_009799 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_009799?
The CAS number of ChemDiv1_009799 is 438238-91-6.
What is the molecular formula of ChemDiv1_009799?
The molecular formula of ChemDiv1_009799 is C29H30ClNO6.
What is the molecular weight of ChemDiv1_009799?
The molecular weight of ChemDiv1_009799 is 523.18 g/mol.
Where can I buy ChemDiv1_009799?
You can request a quote for ChemDiv1_009799 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009799?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009799 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.