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[(2-Cyanophenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate
TL;DR: [(2-Cyanophenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate (CAS 380174-76-5) is a chemical compound with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-cyanoanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: [(2-cyanophenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate, [2-(2-cyanoanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
| Molecular Formula | C16H13N3O3S |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 2.47068 |
| Topological Polar Surface Area | 92.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.06775 |
| Heavy Atoms | 23 |
| Complexity | 771.16095 |
Chemical Identifiers
| CAS Number | 380174-76-5 |
|---|---|
| SMILES | CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC=CC=C2C#N |
Product Overview
[(2-Cyanophenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate (CAS 380174-76-5), with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol. IUPAC: [2-(2-cyanoanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of [(2-Cyanophenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate
Property Insights of [(2-Cyanophenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate
The XLogP value of 2.47068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2-Cyanophenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate. The TPSA of 92.08 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2-Cyanophenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate. Following Lipinski's Rule of Five, [(2-Cyanophenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate has 1 hydrogen bond donor(s) and 6 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 [(2-Cyanophenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
The CAS number of [(2-Cyanophenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate is 380174-76-5.
What is the molecular formula of [(2-Cyanophenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
The molecular formula of [(2-Cyanophenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate is C16H13N3O3S.
What is the molecular weight of [(2-Cyanophenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
The molecular weight of [(2-Cyanophenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate is 327.07 g/mol.
Where can I buy [(2-Cyanophenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
You can request a quote for [(2-Cyanophenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2-Cyanophenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [(2-Cyanophenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.