Ethyl 4-chloro-2-(4-fluorosulfonylphenyl)-6-quinolinecarboxylate
TL;DR: Ethyl 4-chloro-2-(4-fluorosulfonylphenyl)-6-quinolinecarboxylate (CAS 64415-12-9) is a chemical compound with molecular formula C18H13ClFNO4S and molecular weight 393.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chloro-2-(4-fluorosulfonylphenyl)quinoline-6-carboxylate
Also Known As: LMTMZMBTPXASSW-UHFFFAOYSA, 6-Quinolinecarboxylic acid, ethyl ester, ethyl 4-chloro-2-(4-fluorosulfonylphenyl)-6-quinolinecarboxylate, Ethyl 4-chloro-2-(4-(fluorosulfonyl)phenyl)quinoline-6-carboxylate, Ethyl 4-chloro-2-[4-(fluorosulfonyl)phenyl]quinoline-6-carboxylate
| Molecular Formula | C18H13ClFNO4S |
|---|---|
| Molecular Weight | 393.02 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.02377 |
| Heavy Atoms | 26 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 64415-12-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=C1)N=C(C=C2Cl)C3=CC=C(C=C3)S(=O)(=O)F |
| InChIKey | IAEGOMJZXABRBV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-chloro-2-(4-fluorosulfonylphenyl)-6-quinolinecarboxylate (CAS 64415-12-9), with molecular formula C18H13ClFNO4S and molecular weight 393.02 g/mol. IUPAC: ethyl 4-chloro-2-(4-fluorosulfonylphenyl)quinoline-6-carboxylate.
Chemical Property Profile of Ethyl 4-chloro-2-(4-fluorosulfonylphenyl)-6-quinolinecarboxylate
Property Insights of Ethyl 4-chloro-2-(4-fluorosulfonylphenyl)-6-quinolinecarboxylate
The XLogP value of 4.5 indicates that Ethyl 4-chloro-2-(4-fluorosulfonylphenyl)-6-quinolinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-chloro-2-(4-fluorosulfonylphenyl)-6-quinolinecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-chloro-2-(4-fluorosulfonylphenyl)-6-quinolinecarboxylate has 0 hydrogen bond donor(s) and 6 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 Ethyl 4-chloro-2-(4-fluorosulfonylphenyl)-6-quinolinecarboxylate?
The CAS number of Ethyl 4-chloro-2-(4-fluorosulfonylphenyl)-6-quinolinecarboxylate is 64415-12-9.
What is the molecular formula of Ethyl 4-chloro-2-(4-fluorosulfonylphenyl)-6-quinolinecarboxylate?
The molecular formula of Ethyl 4-chloro-2-(4-fluorosulfonylphenyl)-6-quinolinecarboxylate is C18H13ClFNO4S.
What is the molecular weight of Ethyl 4-chloro-2-(4-fluorosulfonylphenyl)-6-quinolinecarboxylate?
The molecular weight of Ethyl 4-chloro-2-(4-fluorosulfonylphenyl)-6-quinolinecarboxylate is 393.02 g/mol.
Where can I buy Ethyl 4-chloro-2-(4-fluorosulfonylphenyl)-6-quinolinecarboxylate?
You can request a quote for Ethyl 4-chloro-2-(4-fluorosulfonylphenyl)-6-quinolinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-chloro-2-(4-fluorosulfonylphenyl)-6-quinolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-chloro-2-(4-fluorosulfonylphenyl)-6-quinolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.