S-Ethyl 2-cyano-6-methoxy-1(2H)-quinolinecarbothioate
TL;DR: S-Ethyl 2-cyano-6-methoxy-1(2H)-quinolinecarbothioate (CAS 40448-85-9) is a chemical compound with molecular formula C14H14N2O2S and molecular weight 274.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl 2-cyano-6-methoxy-2H-quinoline-1-carbothioate
Also Known As: S-Ethyl 2-cyano-6-methoxy-1(2H)-quinolinecarbothioate, NCI60_001281, S-ethyl 2-cyano-6-methoxy-2H-quinoline-1-carbothioate, 1(2H)Quinolinecarbothioic acid, S-ethyl ester, 1(2H)-Quinolinecarbothioic acid, S-ethyl ester
| Molecular Formula | C14H14N2O2S |
|---|---|
| Molecular Weight | 274.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.0776 |
| Heavy Atoms | 19 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 40448-85-9 |
|---|---|
| SMILES | CCSC(=O)N1C(C=CC2=C1C=CC(=C2)OC)C#N |
| InChIKey | RRBZCSKOQKCQJF-UHFFFAOYSA-N |
Product Overview
S-Ethyl 2-cyano-6-methoxy-1(2H)-quinolinecarbothioate (CAS 40448-85-9), with molecular formula C14H14N2O2S and molecular weight 274.08 g/mol. IUPAC: S-ethyl 2-cyano-6-methoxy-2H-quinoline-1-carbothioate.
Chemical Property Profile of S-Ethyl 2-cyano-6-methoxy-1(2H)-quinolinecarbothioate
Property Insights of S-Ethyl 2-cyano-6-methoxy-1(2H)-quinolinecarbothioate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Ethyl 2-cyano-6-methoxy-1(2H)-quinolinecarbothioate. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Ethyl 2-cyano-6-methoxy-1(2H)-quinolinecarbothioate. Following Lipinski's Rule of Five, S-Ethyl 2-cyano-6-methoxy-1(2H)-quinolinecarbothioate 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 S-Ethyl 2-cyano-6-methoxy-1(2H)-quinolinecarbothioate?
The CAS number of S-Ethyl 2-cyano-6-methoxy-1(2H)-quinolinecarbothioate is 40448-85-9.
What is the molecular formula of S-Ethyl 2-cyano-6-methoxy-1(2H)-quinolinecarbothioate?
The molecular formula of S-Ethyl 2-cyano-6-methoxy-1(2H)-quinolinecarbothioate is C14H14N2O2S.
What is the molecular weight of S-Ethyl 2-cyano-6-methoxy-1(2H)-quinolinecarbothioate?
The molecular weight of S-Ethyl 2-cyano-6-methoxy-1(2H)-quinolinecarbothioate is 274.08 g/mol.
Where can I buy S-Ethyl 2-cyano-6-methoxy-1(2H)-quinolinecarbothioate?
You can request a quote for S-Ethyl 2-cyano-6-methoxy-1(2H)-quinolinecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Ethyl 2-cyano-6-methoxy-1(2H)-quinolinecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-Ethyl 2-cyano-6-methoxy-1(2H)-quinolinecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.