(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester
TL;DR: (3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester (CAS 332874-89-2) is a chemical compound with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetate
Also Known As: BAS 02053923, UPCMLD0ENAT5752183:001, VU0296036-2, (3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester, methyl 2-(3-cyano-4,6-dimethyl-2-pyridylthio)acetate
| Molecular Formula | C11H12N2O2S |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 1.83522 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.06195 |
| Heavy Atoms | 16 |
| Complexity | 452.03317 |
Chemical Identifiers
| CAS Number | 332874-89-2 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SCC(=O)OC)C |
Product Overview
(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester (CAS 332874-89-2), with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol. IUPAC: methyl 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetate.
Chemical Property Profile of (3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester
Property Insights of (3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester
The XLogP value of 1.83522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester. Following Lipinski's Rule of Five, (3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester has 0 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 (3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester?
The CAS number of (3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester is 332874-89-2.
What is the molecular formula of (3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester?
The molecular formula of (3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester is C11H12N2O2S.
What is the molecular weight of (3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester?
The molecular weight of (3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester is 236.06 g/mol.
Where can I buy (3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester?
You can request a quote for (3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-acetic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.