methyl 3-acetamido-2-cyano-2H-quinoline-1-carboxylate
TL;DR: methyl 3-acetamido-2-cyano-2H-quinoline-1-carboxylate (CAS 40501-67-5) is a chemical compound with molecular formula C14H13N3O3 and molecular weight 271.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-acetamido-2-cyano-2H-quinoline-1-carboxylate
Also Known As: Salicylsaeure-o-chlorphenylester, methyl 3-acetamido-2-cyano-2H-quinoline-1-carboxylate, Methyl 3-acetamido-2-cyanoquinoline-1(2H)-carboxylate
| Molecular Formula | C14H13N3O3 |
|---|---|
| Molecular Weight | 271.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 82.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.0957 |
| Heavy Atoms | 20 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 40501-67-5 |
|---|---|
| SMILES | CC(=O)NC1=CC2=CC=CC=C2N(C1C#N)C(=O)OC |
| InChIKey | GJAMTSVJVBFCKY-UHFFFAOYSA-N |
Product Overview
methyl 3-acetamido-2-cyano-2H-quinoline-1-carboxylate (CAS 40501-67-5), with molecular formula C14H13N3O3 and molecular weight 271.10 g/mol. IUPAC: methyl 3-acetamido-2-cyano-2H-quinoline-1-carboxylate.
Chemical Property Profile of methyl 3-acetamido-2-cyano-2H-quinoline-1-carboxylate
Property Insights of methyl 3-acetamido-2-cyano-2H-quinoline-1-carboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-acetamido-2-cyano-2H-quinoline-1-carboxylate. The TPSA of 82.4 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-acetamido-2-cyano-2H-quinoline-1-carboxylate. Following Lipinski's Rule of Five, methyl 3-acetamido-2-cyano-2H-quinoline-1-carboxylate has 1 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 methyl 3-acetamido-2-cyano-2H-quinoline-1-carboxylate?
The CAS number of methyl 3-acetamido-2-cyano-2H-quinoline-1-carboxylate is 40501-67-5.
What is the molecular formula of methyl 3-acetamido-2-cyano-2H-quinoline-1-carboxylate?
The molecular formula of methyl 3-acetamido-2-cyano-2H-quinoline-1-carboxylate is C14H13N3O3.
What is the molecular weight of methyl 3-acetamido-2-cyano-2H-quinoline-1-carboxylate?
The molecular weight of methyl 3-acetamido-2-cyano-2H-quinoline-1-carboxylate is 271.10 g/mol.
Where can I buy methyl 3-acetamido-2-cyano-2H-quinoline-1-carboxylate?
You can request a quote for methyl 3-acetamido-2-cyano-2H-quinoline-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-acetamido-2-cyano-2H-quinoline-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-acetamido-2-cyano-2H-quinoline-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.