1(2H)-Quinolinecarboxylic acid, 2-cyano-6-methoxy-, methyl ester
TL;DR: 1(2H)-Quinolinecarboxylic acid, 2-cyano-6-methoxy-, methyl ester (CAS 40713-11-9) is a chemical compound with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-cyano-6-methoxy-2H-quinoline-1-carboxylate
Also Known As: KST-1B4030, methyl 2-cyano-6-methoxy-2H-quinoline-1-carboxylate, 1(2H)-Quinolinecarboxylic acid, 2-cyano-6-methoxy-, methyl ester, 1(2H)-Quinolinecarboxylic acid, methyl ester, methyl 2-cyano-6-methoxyquinoline-1(2H)-carboxylate
| Molecular Formula | C13H12N2O3 |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.0848 |
| Heavy Atoms | 18 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 40713-11-9 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N(C(C=C2)C#N)C(=O)OC |
| InChIKey | UALWQVCLEBEYTK-UHFFFAOYSA-N |
Product Overview
1(2H)-Quinolinecarboxylic acid, 2-cyano-6-methoxy-, methyl ester (CAS 40713-11-9), with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol. IUPAC: methyl 2-cyano-6-methoxy-2H-quinoline-1-carboxylate.
Chemical Property Profile of 1(2H)-Quinolinecarboxylic acid, 2-cyano-6-methoxy-, methyl ester
Property Insights of 1(2H)-Quinolinecarboxylic acid, 2-cyano-6-methoxy-, methyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1(2H)-Quinolinecarboxylic acid, 2-cyano-6-methoxy-, methyl ester. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1(2H)-Quinolinecarboxylic acid, 2-cyano-6-methoxy-, methyl ester. Following Lipinski's Rule of Five, 1(2H)-Quinolinecarboxylic acid, 2-cyano-6-methoxy-, methyl ester 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 1(2H)-Quinolinecarboxylic acid, 2-cyano-6-methoxy-, methyl ester?
The CAS number of 1(2H)-Quinolinecarboxylic acid, 2-cyano-6-methoxy-, methyl ester is 40713-11-9.
What is the molecular formula of 1(2H)-Quinolinecarboxylic acid, 2-cyano-6-methoxy-, methyl ester?
The molecular formula of 1(2H)-Quinolinecarboxylic acid, 2-cyano-6-methoxy-, methyl ester is C13H12N2O3.
What is the molecular weight of 1(2H)-Quinolinecarboxylic acid, 2-cyano-6-methoxy-, methyl ester?
The molecular weight of 1(2H)-Quinolinecarboxylic acid, 2-cyano-6-methoxy-, methyl ester is 244.08 g/mol.
Where can I buy 1(2H)-Quinolinecarboxylic acid, 2-cyano-6-methoxy-, methyl ester?
You can request a quote for 1(2H)-Quinolinecarboxylic acid, 2-cyano-6-methoxy-, methyl 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-cyano-6-methoxy-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1(2H)-Quinolinecarboxylic acid, 2-cyano-6-methoxy-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.