3-(Ethylthio)-2-phenylquinoline-4-carboxylic acid
TL;DR: 3-(Ethylthio)-2-phenylquinoline-4-carboxylic acid (CAS 353761-06-5) is a chemical compound with molecular formula C18H15NO2S and molecular weight 309.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethylsulfanyl-2-phenylquinoline-4-carboxylic acid
Also Known As: 3-(ethylthio)-2-phenylquinoline-4-carboxylic acid, N,N-Dimethyl-N'-benzylharnstoff, ZERO/006065, 3-ethylsulfanyl-2-phenylquinoline-4-carboxylic acid, 3-(Ethylsulfanyl)-2-phenyl-4-quinolinecarboxylic acid
| Molecular Formula | C18H15NO2S |
|---|---|
| Molecular Weight | 309.08 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 75.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.08234 |
| Heavy Atoms | 22 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 353761-06-5 |
|---|---|
| SMILES | CCSC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)O |
| InChIKey | YBZPEAFFNFMQMT-UHFFFAOYSA-N |
Product Overview
3-(Ethylthio)-2-phenylquinoline-4-carboxylic acid (CAS 353761-06-5), with molecular formula C18H15NO2S and molecular weight 309.08 g/mol. IUPAC: 3-ethylsulfanyl-2-phenylquinoline-4-carboxylic acid.
Chemical Property Profile of 3-(Ethylthio)-2-phenylquinoline-4-carboxylic acid
Property Insights of 3-(Ethylthio)-2-phenylquinoline-4-carboxylic acid
The XLogP value of 4.3 indicates that 3-(Ethylthio)-2-phenylquinoline-4-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Ethylthio)-2-phenylquinoline-4-carboxylic acid. Following Lipinski's Rule of Five, 3-(Ethylthio)-2-phenylquinoline-4-carboxylic acid has 1 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 3-(Ethylthio)-2-phenylquinoline-4-carboxylic acid?
The CAS number of 3-(Ethylthio)-2-phenylquinoline-4-carboxylic acid is 353761-06-5.
What is the molecular formula of 3-(Ethylthio)-2-phenylquinoline-4-carboxylic acid?
The molecular formula of 3-(Ethylthio)-2-phenylquinoline-4-carboxylic acid is C18H15NO2S.
What is the molecular weight of 3-(Ethylthio)-2-phenylquinoline-4-carboxylic acid?
The molecular weight of 3-(Ethylthio)-2-phenylquinoline-4-carboxylic acid is 309.08 g/mol.
Where can I buy 3-(Ethylthio)-2-phenylquinoline-4-carboxylic acid?
You can request a quote for 3-(Ethylthio)-2-phenylquinoline-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Ethylthio)-2-phenylquinoline-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Ethylthio)-2-phenylquinoline-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.