3-(Methoxycarbonyl)benzyl 2-(methylthio)nicotinate
TL;DR: 3-(Methoxycarbonyl)benzyl 2-(methylthio)nicotinate (CAS 851398-83-9) is a chemical compound with molecular formula C16H15NO4S and molecular weight 317.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methoxycarbonylphenyl)methyl 2-methylsulfanylpyridine-3-carboxylate
Also Known As: starbld0004009, 3-(Methoxycarbonyl)benzyl 2-(methylthio)nicotinate, (3-methoxycarbonylphenyl)methyl 2-methylsulfanylpyridine-3-carboxylate, [3-(methoxycarbonyl)phenyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate
| Molecular Formula | C16H15NO4S |
|---|---|
| Molecular Weight | 317.07 g/mol |
| LogP | 2.9471 |
| Topological Polar Surface Area | 65.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.07217 |
| Heavy Atoms | 22 |
| Complexity | 687.35095 |
Chemical Identifiers
| CAS Number | 851398-83-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC(=C1)COC(=O)C2=C(N=CC=C2)SC |
Product Overview
3-(Methoxycarbonyl)benzyl 2-(methylthio)nicotinate (CAS 851398-83-9), with molecular formula C16H15NO4S and molecular weight 317.07 g/mol. IUPAC: (3-methoxycarbonylphenyl)methyl 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of 3-(Methoxycarbonyl)benzyl 2-(methylthio)nicotinate
Property Insights of 3-(Methoxycarbonyl)benzyl 2-(methylthio)nicotinate
The XLogP value of 2.9471 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methoxycarbonyl)benzyl 2-(methylthio)nicotinate. The TPSA of 65.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Methoxycarbonyl)benzyl 2-(methylthio)nicotinate. Following Lipinski's Rule of Five, 3-(Methoxycarbonyl)benzyl 2-(methylthio)nicotinate has 0 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 3-(Methoxycarbonyl)benzyl 2-(methylthio)nicotinate?
The CAS number of 3-(Methoxycarbonyl)benzyl 2-(methylthio)nicotinate is 851398-83-9.
What is the molecular formula of 3-(Methoxycarbonyl)benzyl 2-(methylthio)nicotinate?
The molecular formula of 3-(Methoxycarbonyl)benzyl 2-(methylthio)nicotinate is C16H15NO4S.
What is the molecular weight of 3-(Methoxycarbonyl)benzyl 2-(methylthio)nicotinate?
The molecular weight of 3-(Methoxycarbonyl)benzyl 2-(methylthio)nicotinate is 317.07 g/mol.
Where can I buy 3-(Methoxycarbonyl)benzyl 2-(methylthio)nicotinate?
You can request a quote for 3-(Methoxycarbonyl)benzyl 2-(methylthio)nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methoxycarbonyl)benzyl 2-(methylthio)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methoxycarbonyl)benzyl 2-(methylthio)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.