Benzeneacetic acid, alpha-((4-methyl-2-pyrimidinyl)thio)-
TL;DR: Benzeneacetic acid, alpha-((4-methyl-2-pyrimidinyl)thio)- (CAS 87125-93-7) is a chemical compound with molecular formula C13H12N2O2S and molecular weight 260.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid
Also Known As: IFLab1_000632, alpha-((4-Methyl-2-pyrimidinyl)thio)benzeneacetic acid, 2-Pyrimidinethioacetic acid, 4-methyl-beta-phenyl-, IDI1_008851, Benzeneacetic acid, alpha-((4-methyl-2-pyrimidinyl)thio)-
| Molecular Formula | C13H12N2O2S |
|---|---|
| Molecular Weight | 260.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 88.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.06195 |
| Heavy Atoms | 18 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 87125-93-7 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SC(C2=CC=CC=C2)C(=O)O |
| InChIKey | VUPJCTMSPPTLBN-UHFFFAOYSA-N |
Product Overview
Benzeneacetic acid, alpha-((4-methyl-2-pyrimidinyl)thio)- (CAS 87125-93-7), with molecular formula C13H12N2O2S and molecular weight 260.06 g/mol. IUPAC: 2-(4-methylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid.
Chemical Property Profile of Benzeneacetic acid, alpha-((4-methyl-2-pyrimidinyl)thio)-
Property Insights of Benzeneacetic acid, alpha-((4-methyl-2-pyrimidinyl)thio)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, alpha-((4-methyl-2-pyrimidinyl)thio)-. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, alpha-((4-methyl-2-pyrimidinyl)thio)-. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha-((4-methyl-2-pyrimidinyl)thio)- has 1 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 Benzeneacetic acid, alpha-((4-methyl-2-pyrimidinyl)thio)-?
The CAS number of Benzeneacetic acid, alpha-((4-methyl-2-pyrimidinyl)thio)- is 87125-93-7.
What is the molecular formula of Benzeneacetic acid, alpha-((4-methyl-2-pyrimidinyl)thio)-?
The molecular formula of Benzeneacetic acid, alpha-((4-methyl-2-pyrimidinyl)thio)- is C13H12N2O2S.
What is the molecular weight of Benzeneacetic acid, alpha-((4-methyl-2-pyrimidinyl)thio)-?
The molecular weight of Benzeneacetic acid, alpha-((4-methyl-2-pyrimidinyl)thio)- is 260.06 g/mol.
Where can I buy Benzeneacetic acid, alpha-((4-methyl-2-pyrimidinyl)thio)-?
You can request a quote for Benzeneacetic acid, alpha-((4-methyl-2-pyrimidinyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, alpha-((4-methyl-2-pyrimidinyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha-((4-methyl-2-pyrimidinyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.