Quinoline-3-carboxylic acid cyanomethyl ester
TL;DR: Quinoline-3-carboxylic acid cyanomethyl ester (CAS 25283-64-1) is a chemical compound with molecular formula C12H8N2O2 and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyanomethyl quinoline-3-carboxylate
Also Known As: Cyanomethyl Quinoline-3-carboxylate, cyanomethyl 3-quinolinecarboxylate, quinoline-3-carboxylic acid cyanomethyl ester, 683-749-1, RefChem:872034
| Molecular Formula | C12H8N2O2 |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 1.91518 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.05858 |
| Heavy Atoms | 16 |
| Complexity | 572.4856 |
Chemical Identifiers
| CAS Number | 25283-64-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C=N2)C(=O)OCC#N |
Product Overview
Quinoline-3-carboxylic acid cyanomethyl ester (CAS 25283-64-1), with molecular formula C12H8N2O2 and molecular weight 212.06 g/mol. IUPAC: cyanomethyl quinoline-3-carboxylate.
Chemical Property Profile of Quinoline-3-carboxylic acid cyanomethyl ester
Property Insights of Quinoline-3-carboxylic acid cyanomethyl ester
The XLogP value of 1.91518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinoline-3-carboxylic acid cyanomethyl ester. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinoline-3-carboxylic acid cyanomethyl ester. Following Lipinski's Rule of Five, Quinoline-3-carboxylic acid cyanomethyl 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 Quinoline-3-carboxylic acid cyanomethyl ester?
The CAS number of Quinoline-3-carboxylic acid cyanomethyl ester is 25283-64-1.
What is the molecular formula of Quinoline-3-carboxylic acid cyanomethyl ester?
The molecular formula of Quinoline-3-carboxylic acid cyanomethyl ester is C12H8N2O2.
What is the molecular weight of Quinoline-3-carboxylic acid cyanomethyl ester?
The molecular weight of Quinoline-3-carboxylic acid cyanomethyl ester is 212.06 g/mol.
Where can I buy Quinoline-3-carboxylic acid cyanomethyl ester?
You can request a quote for Quinoline-3-carboxylic acid cyanomethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinoline-3-carboxylic acid cyanomethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Quinoline-3-carboxylic acid cyanomethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.