![2-{[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}benzoic acid structure](/static/products/7337/733795-51-2.webp)
2-{[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}benzoic acid
TL;DR: 2-{[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}benzoic acid (CAS 733795-51-2) is a chemical compound with molecular formula C14H14N2O2S and molecular weight 274.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoic acid
Also Known As: 2-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}benzoic acid, 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoic Acid, 2-{[(4,6-dimethylpyrimidin-2-yl)thio]methyl}benzoic acid, 2-([(4,6-Dimethylpyrimidin-2-yl)thio]methyl)benzoic acid, 2-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}benzoicacid
| Molecular Formula | C14H14N2O2S |
|---|---|
| Molecular Weight | 274.08 g/mol |
| LogP | 3.08394 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.0776 |
| Heavy Atoms | 19 |
| Complexity | 593.895 |
Chemical Identifiers
| CAS Number | 733795-51-2 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)O)C |
Product Overview
2-{[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}benzoic acid (CAS 733795-51-2), with molecular formula C14H14N2O2S and molecular weight 274.08 g/mol. IUPAC: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoic acid.
Chemical Property Profile of 2-{[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}benzoic acid
Property Insights of 2-{[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}benzoic acid
The XLogP value of 3.08394 indicates that 2-{[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}benzoic acid. Following Lipinski's Rule of Five, 2-{[(4,6-Dimethylpyrimidin-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 2-{[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}benzoic acid?
The CAS number of 2-{[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}benzoic acid is 733795-51-2.
What is the molecular formula of 2-{[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}benzoic acid?
The molecular formula of 2-{[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}benzoic acid is C14H14N2O2S.
What is the molecular weight of 2-{[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}benzoic acid?
The molecular weight of 2-{[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}benzoic acid is 274.08 g/mol.
Where can I buy 2-{[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}benzoic acid?
You can request a quote for 2-{[(4,6-Dimethylpyrimidin-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 2-{[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.