![2-[(4,6-Dimethoxypyrimidin-2-yl)thio]-6-methylbenzoic acid structure](/static/products/1233/123342-94-9.webp)
2-[(4,6-Dimethoxypyrimidin-2-yl)thio]-6-methylbenzoic acid
TL;DR: 2-[(4,6-Dimethoxypyrimidin-2-yl)thio]-6-methylbenzoic acid (CAS 123342-94-9) is a chemical compound with molecular formula C14H14N2O4S and molecular weight 306.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-6-methylbenzoic acid
Also Known As: 2-[(4,6-dimethoxypyrimidin-2-yl)thio]-6-methylbenzoic acid, 2-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]-6-methylbenzoic acid, 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-6-methyl-benzoic Acid, 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-6-methylbenzoic acid, 2-[(4,6-Dimethoxy-2-pyrimidinyl)thio]-6-methylbenzoic acid
| Molecular Formula | C14H14N2O4S |
|---|---|
| Molecular Weight | 306.07 g/mol |
| LogP | 2.65162 |
| Topological Polar Surface Area | 81.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.0674 |
| Heavy Atoms | 21 |
| Complexity | 653.76874 |
Chemical Identifiers
| CAS Number | 123342-94-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)SC2=NC(=CC(=N2)OC)OC)C(=O)O |
Product Overview
2-[(4,6-Dimethoxypyrimidin-2-yl)thio]-6-methylbenzoic acid (CAS 123342-94-9), with molecular formula C14H14N2O4S and molecular weight 306.07 g/mol. IUPAC: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-6-methylbenzoic acid.
Chemical Property Profile of 2-[(4,6-Dimethoxypyrimidin-2-yl)thio]-6-methylbenzoic acid
Property Insights of 2-[(4,6-Dimethoxypyrimidin-2-yl)thio]-6-methylbenzoic acid
The XLogP value of 2.65162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4,6-Dimethoxypyrimidin-2-yl)thio]-6-methylbenzoic acid. The TPSA of 81.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4,6-Dimethoxypyrimidin-2-yl)thio]-6-methylbenzoic acid. Following Lipinski's Rule of Five, 2-[(4,6-Dimethoxypyrimidin-2-yl)thio]-6-methylbenzoic acid has 1 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 2-[(4,6-Dimethoxypyrimidin-2-yl)thio]-6-methylbenzoic acid?
The CAS number of 2-[(4,6-Dimethoxypyrimidin-2-yl)thio]-6-methylbenzoic acid is 123342-94-9.
What is the molecular formula of 2-[(4,6-Dimethoxypyrimidin-2-yl)thio]-6-methylbenzoic acid?
The molecular formula of 2-[(4,6-Dimethoxypyrimidin-2-yl)thio]-6-methylbenzoic acid is C14H14N2O4S.
What is the molecular weight of 2-[(4,6-Dimethoxypyrimidin-2-yl)thio]-6-methylbenzoic acid?
The molecular weight of 2-[(4,6-Dimethoxypyrimidin-2-yl)thio]-6-methylbenzoic acid is 306.07 g/mol.
Where can I buy 2-[(4,6-Dimethoxypyrimidin-2-yl)thio]-6-methylbenzoic acid?
You can request a quote for 2-[(4,6-Dimethoxypyrimidin-2-yl)thio]-6-methylbenzoic 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-Dimethoxypyrimidin-2-yl)thio]-6-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4,6-Dimethoxypyrimidin-2-yl)thio]-6-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.