![[(4-Methylphenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate structure](/static/products/4750/475055-03-9.webp)
[(4-Methylphenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate
TL;DR: [(4-Methylphenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate (CAS 475055-03-9) is a chemical compound with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methylanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: [(4-methylphenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate|[2-(4-methylanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate|EN300-26592886
| Molecular Formula | C16H16N2O3S |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 2.90742 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.08817 |
| Heavy Atoms | 22 |
| Complexity | 671.34607 |
Chemical Identifiers
| CAS Number | 475055-03-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(N=CC=C2)SC |
Product Overview
[(4-Methylphenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate (CAS 475055-03-9), with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol. IUPAC: [2-(4-methylanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of [(4-Methylphenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate
Property Insights of [(4-Methylphenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate
The XLogP value of 2.90742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(4-Methylphenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for [(4-Methylphenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate. Following Lipinski's Rule of Five, [(4-Methylphenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate has 1 hydrogen bond donor(s) and 5 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 [(4-Methylphenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
The CAS number of [(4-Methylphenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate is 475055-03-9.
What is the molecular formula of [(4-Methylphenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
The molecular formula of [(4-Methylphenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate is C16H16N2O3S.
What is the molecular weight of [(4-Methylphenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
The molecular weight of [(4-Methylphenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate is 316.09 g/mol.
Where can I buy [(4-Methylphenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
You can request a quote for [(4-Methylphenyl)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 [(4-Methylphenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [(4-Methylphenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.