1(2H)-Quinolinecarboxylic acid, 2-allylthio-, ethyl ester
TL;DR: 1(2H)-Quinolinecarboxylic acid, 2-allylthio-, ethyl ester (CAS 356-66-1) is a chemical compound with molecular formula C15H17NO2S and molecular weight 275.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-prop-2-enylsulfanyl-2H-quinoline-1-carboxylate
Also Known As: 2-Allylthio-1(2H)-quinolinecarboxylic acid, ethyl ester, 1(2H)-Quinolinecarboxylic acid, 2-allylthio-, ethyl ester, ethyl 2-(prop-2-en-1-ylsulfanyl)quinoline-1(2h)-carboxylate, ethyl 2-prop-2-enylsulfanyl-2H-quinoline-1-carboxylate, 2-(Allylthio)-1(2H)-quinolinecarboxylic acid ethyl ester
| Molecular Formula | C15H17NO2S |
|---|---|
| Molecular Weight | 275.10 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.098 |
| Heavy Atoms | 19 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 356-66-1 |
|---|---|
| SMILES | CCOC(=O)N1C(C=CC2=CC=CC=C21)SCC=C |
| InChIKey | AMQWHQDWXBBPKJ-UHFFFAOYSA-N |
Product Overview
1(2H)-Quinolinecarboxylic acid, 2-allylthio-, ethyl ester (CAS 356-66-1), with molecular formula C15H17NO2S and molecular weight 275.10 g/mol. IUPAC: ethyl 2-prop-2-enylsulfanyl-2H-quinoline-1-carboxylate.
Chemical Property Profile of 1(2H)-Quinolinecarboxylic acid, 2-allylthio-, ethyl ester
Property Insights of 1(2H)-Quinolinecarboxylic acid, 2-allylthio-, ethyl ester
The XLogP value of 3.8 indicates that 1(2H)-Quinolinecarboxylic acid, 2-allylthio-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.8 Ų, 1(2H)-Quinolinecarboxylic acid, 2-allylthio-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(2H)-Quinolinecarboxylic acid, 2-allylthio-, ethyl ester has 0 hydrogen bond donor(s) and 3 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 1(2H)-Quinolinecarboxylic acid, 2-allylthio-, ethyl ester?
The CAS number of 1(2H)-Quinolinecarboxylic acid, 2-allylthio-, ethyl ester is 356-66-1.
What is the molecular formula of 1(2H)-Quinolinecarboxylic acid, 2-allylthio-, ethyl ester?
The molecular formula of 1(2H)-Quinolinecarboxylic acid, 2-allylthio-, ethyl ester is C15H17NO2S.
What is the molecular weight of 1(2H)-Quinolinecarboxylic acid, 2-allylthio-, ethyl ester?
The molecular weight of 1(2H)-Quinolinecarboxylic acid, 2-allylthio-, ethyl ester is 275.10 g/mol.
Where can I buy 1(2H)-Quinolinecarboxylic acid, 2-allylthio-, ethyl ester?
You can request a quote for 1(2H)-Quinolinecarboxylic acid, 2-allylthio-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(2H)-Quinolinecarboxylic acid, 2-allylthio-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1(2H)-Quinolinecarboxylic acid, 2-allylthio-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.