Cyanomethyl quinoline-2-carboxylate
TL;DR: Cyanomethyl quinoline-2-carboxylate (CAS 5355-70-4) 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-2-carboxylate
Also Known As: cyanomethyl quinoline-2-carboxylate, Cyanomethyl 2-quinolinecarboxylate, Quinoline-2-carboxylic acid cyanomethyl ester, 2-Quinolinecarboxylic acid cyanomethyl ester, J3.476.318F
| 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 | 5355-70-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCC#N |
Product Overview
Cyanomethyl quinoline-2-carboxylate (CAS 5355-70-4), with molecular formula C12H8N2O2 and molecular weight 212.06 g/mol. IUPAC: cyanomethyl quinoline-2-carboxylate.
Chemical Property Profile of Cyanomethyl quinoline-2-carboxylate
Property Insights of Cyanomethyl quinoline-2-carboxylate
The XLogP value of 1.91518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyanomethyl quinoline-2-carboxylate. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyanomethyl quinoline-2-carboxylate. Following Lipinski's Rule of Five, Cyanomethyl quinoline-2-carboxylate 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 Cyanomethyl quinoline-2-carboxylate?
The CAS number of Cyanomethyl quinoline-2-carboxylate is 5355-70-4.
What is the molecular formula of Cyanomethyl quinoline-2-carboxylate?
The molecular formula of Cyanomethyl quinoline-2-carboxylate is C12H8N2O2.
What is the molecular weight of Cyanomethyl quinoline-2-carboxylate?
The molecular weight of Cyanomethyl quinoline-2-carboxylate is 212.06 g/mol.
Where can I buy Cyanomethyl quinoline-2-carboxylate?
You can request a quote for Cyanomethyl quinoline-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyanomethyl quinoline-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Cyanomethyl quinoline-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.