![4-{[(3-Cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}benzoic acid structure](/static/products/3712/371225-75-1.webp)
4-{[(3-Cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}benzoic acid
TL;DR: 4-{[(3-Cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}benzoic acid (CAS 371225-75-1) is a chemical compound with molecular formula C16H14N2O2S and molecular weight 298.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanylmethyl]benzoic acid
Also Known As: BAS 06899833, 4-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}benzoic acid, 4-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]benzoic acid, 4-(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanylmethyl)-benzoic acid, 4-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)benzoic acid
| Molecular Formula | C16H14N2O2S |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | 3.56062 |
| Topological Polar Surface Area | 73.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.0776 |
| Heavy Atoms | 21 |
| Complexity | 718.29224 |
Chemical Identifiers
| CAS Number | 371225-75-1 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SCC2=CC=C(C=C2)C(=O)O)C |
Product Overview
4-{[(3-Cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}benzoic acid (CAS 371225-75-1), with molecular formula C16H14N2O2S and molecular weight 298.08 g/mol. IUPAC: 4-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanylmethyl]benzoic acid.
Chemical Property Profile of 4-{[(3-Cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}benzoic acid
Property Insights of 4-{[(3-Cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}benzoic acid
The XLogP value of 3.56062 indicates that 4-{[(3-Cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(3-Cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}benzoic acid. Following Lipinski's Rule of Five, 4-{[(3-Cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}benzoic acid 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 4-{[(3-Cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}benzoic acid?
The CAS number of 4-{[(3-Cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}benzoic acid is 371225-75-1.
What is the molecular formula of 4-{[(3-Cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}benzoic acid?
The molecular formula of 4-{[(3-Cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}benzoic acid is C16H14N2O2S.
What is the molecular weight of 4-{[(3-Cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}benzoic acid?
The molecular weight of 4-{[(3-Cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}benzoic acid is 298.08 g/mol.
Where can I buy 4-{[(3-Cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}benzoic acid?
You can request a quote for 4-{[(3-Cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(3-Cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(3-Cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.