Benzeneacetic acid, alpha-((4,6-dimethyl-2-pyrimidinyl)thio)-
TL;DR: Benzeneacetic acid, alpha-((4,6-dimethyl-2-pyrimidinyl)thio)- (CAS 87125-95-9) 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)sulfanyl-2-phenylacetic acid
Also Known As: -PHENYL-ACETICACID, (4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-phenyl-acetic acid, 2-((4,6-dimethylpyrimidin-2-yl)thio)-2-phenylacetic acid, 1156AF, 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid
| Molecular Formula | C14H14N2O2S |
|---|---|
| Molecular Weight | 274.08 g/mol |
| LogP | 3.01144 |
| 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 | 567.00476 |
Chemical Identifiers
| CAS Number | 87125-95-9 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SC(C2=CC=CC=C2)C(=O)O)C |
Product Overview
Benzeneacetic acid, alpha-((4,6-dimethyl-2-pyrimidinyl)thio)- (CAS 87125-95-9), with molecular formula C14H14N2O2S and molecular weight 274.08 g/mol. IUPAC: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid.
Chemical Property Profile of Benzeneacetic acid, alpha-((4,6-dimethyl-2-pyrimidinyl)thio)-
Property Insights of Benzeneacetic acid, alpha-((4,6-dimethyl-2-pyrimidinyl)thio)-
The XLogP value of 3.01144 indicates that Benzeneacetic acid, alpha-((4,6-dimethyl-2-pyrimidinyl)thio)- 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 Benzeneacetic acid, alpha-((4,6-dimethyl-2-pyrimidinyl)thio)-. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha-((4,6-dimethyl-2-pyrimidinyl)thio)- 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 Benzeneacetic acid, alpha-((4,6-dimethyl-2-pyrimidinyl)thio)-?
The CAS number of Benzeneacetic acid, alpha-((4,6-dimethyl-2-pyrimidinyl)thio)- is 87125-95-9.
What is the molecular formula of Benzeneacetic acid, alpha-((4,6-dimethyl-2-pyrimidinyl)thio)-?
The molecular formula of Benzeneacetic acid, alpha-((4,6-dimethyl-2-pyrimidinyl)thio)- is C14H14N2O2S.
What is the molecular weight of Benzeneacetic acid, alpha-((4,6-dimethyl-2-pyrimidinyl)thio)-?
The molecular weight of Benzeneacetic acid, alpha-((4,6-dimethyl-2-pyrimidinyl)thio)- is 274.08 g/mol.
Where can I buy Benzeneacetic acid, alpha-((4,6-dimethyl-2-pyrimidinyl)thio)-?
You can request a quote for Benzeneacetic acid, alpha-((4,6-dimethyl-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-((4,6-dimethyl-2-pyrimidinyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha-((4,6-dimethyl-2-pyrimidinyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.