2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate
TL;DR: 2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate (CAS 352672-98-1) is a chemical compound with molecular formula C20H16ClNO3 and molecular weight 353.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-chloroquinoline-4-carboxylate
Also Known As: 2-(2,5-dimethylphenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate, [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-chloroquinoline-4-carboxylate, 2-Chloro-quinoline-4-carboxylic acid 2-(2,5-dimethyl-phenyl)-2-oxo-ethyl ester, 2-(2,5-DIMETHYLPHENYL)-2-OXOETHYL 2-CHLORO-4-QUINOLINECARBOXYLATE, 2-chlorocinchoninic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester
| Molecular Formula | C20H16ClNO3 |
|---|---|
| Molecular Weight | 353.08 g/mol |
| LogP | 4.54474 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.08188 |
| Heavy Atoms | 25 |
| Complexity | 981.8373 |
Chemical Identifiers
| CAS Number | 352672-98-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)Cl |
Product Overview
2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate (CAS 352672-98-1), with molecular formula C20H16ClNO3 and molecular weight 353.08 g/mol. IUPAC: [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-chloroquinoline-4-carboxylate.
Chemical Property Profile of 2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate
Property Insights of 2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate
The XLogP value of 4.54474 indicates that 2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.26 Ų, 2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate has 0 hydrogen bond donor(s) and 4 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 2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate?
The CAS number of 2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate is 352672-98-1.
What is the molecular formula of 2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate?
The molecular formula of 2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate is C20H16ClNO3.
What is the molecular weight of 2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate?
The molecular weight of 2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate is 353.08 g/mol.
Where can I buy 2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate?
You can request a quote for 2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.