![2-[(4,6-Dimethoxypyrimidin-2-yl)thio]benzoic acid structure](/static/products/1102/110284-79-2.webp)
2-[(4,6-Dimethoxypyrimidin-2-yl)thio]benzoic acid
TL;DR: 2-[(4,6-Dimethoxypyrimidin-2-yl)thio]benzoic acid (CAS 110284-79-2) is a chemical compound with molecular formula C13H12N2O4S and molecular weight 292.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,6-dimethoxypyrimidin-2-yl)sulfanylbenzoic acid
Also Known As: 2-[(4,6-Dimethoxypyrimidin-2-yl)thio]benzoic acid, Phthaloyl-L-Leucine, Peakdale1_000079, 2-((4,6-Dimethoxypyrimidin-2-yl)thio)benzoic acid, 2-(4,6-dimethoxypyrimidin-2-yl)sulfanylbenzoic acid
| Molecular Formula | C13H12N2O4S |
|---|---|
| Molecular Weight | 292.05 g/mol |
| LogP | 2.3432 |
| Topological Polar Surface Area | 81.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.0518 |
| Heavy Atoms | 20 |
| Complexity | 611.26825 |
Chemical Identifiers
| CAS Number | 110284-79-2 |
|---|---|
| SMILES | COC1=CC(=NC(=N1)SC2=CC=CC=C2C(=O)O)OC |
Product Overview
2-[(4,6-Dimethoxypyrimidin-2-yl)thio]benzoic acid (CAS 110284-79-2), with molecular formula C13H12N2O4S and molecular weight 292.05 g/mol. IUPAC: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanylbenzoic acid.
Chemical Property Profile of 2-[(4,6-Dimethoxypyrimidin-2-yl)thio]benzoic acid
Property Insights of 2-[(4,6-Dimethoxypyrimidin-2-yl)thio]benzoic acid
The XLogP value of 2.3432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4,6-Dimethoxypyrimidin-2-yl)thio]benzoic 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]benzoic acid. Following Lipinski's Rule of Five, 2-[(4,6-Dimethoxypyrimidin-2-yl)thio]benzoic 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]benzoic acid?
The CAS number of 2-[(4,6-Dimethoxypyrimidin-2-yl)thio]benzoic acid is 110284-79-2.
What is the molecular formula of 2-[(4,6-Dimethoxypyrimidin-2-yl)thio]benzoic acid?
The molecular formula of 2-[(4,6-Dimethoxypyrimidin-2-yl)thio]benzoic acid is C13H12N2O4S.
What is the molecular weight of 2-[(4,6-Dimethoxypyrimidin-2-yl)thio]benzoic acid?
The molecular weight of 2-[(4,6-Dimethoxypyrimidin-2-yl)thio]benzoic acid is 292.05 g/mol.
Where can I buy 2-[(4,6-Dimethoxypyrimidin-2-yl)thio]benzoic acid?
You can request a quote for 2-[(4,6-Dimethoxypyrimidin-2-yl)thio]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-Dimethoxypyrimidin-2-yl)thio]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4,6-Dimethoxypyrimidin-2-yl)thio]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.