Benzeneacetic acid, alpha-((4-methyl-6-phenyl-2-pyrimidinyl)thio)-
TL;DR: Benzeneacetic acid, alpha-((4-methyl-6-phenyl-2-pyrimidinyl)thio)- (CAS 77517-15-8) is a chemical compound with molecular formula C19H16N2O2S and molecular weight 336.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid
Also Known As: alpha-((4-Methyl-6-phenyl-2-pyrimidinyl)thio)benzeneacetic acid, 2-Pyrimidinethioacetic acid, 6,beta-diphenyl-4-methyl-, Benzeneacetic acid, alpha-((4-methyl-6-phenyl-2-pyrimidinyl)thio)-, [(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl](phenyl)acetic acid, 2-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl]-2-phenylacetic acid
| Molecular Formula | C19H16N2O2S |
|---|---|
| Molecular Weight | 336.09 g/mol |
| LogP | 4.37002 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.09326 |
| Heavy Atoms | 24 |
| Complexity | 838.50037 |
Chemical Identifiers
| CAS Number | 77517-15-8 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SC(C2=CC=CC=C2)C(=O)O)C3=CC=CC=C3 |
Product Overview
Benzeneacetic acid, alpha-((4-methyl-6-phenyl-2-pyrimidinyl)thio)- (CAS 77517-15-8), with molecular formula C19H16N2O2S and molecular weight 336.09 g/mol. IUPAC: 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid.
Chemical Property Profile of Benzeneacetic acid, alpha-((4-methyl-6-phenyl-2-pyrimidinyl)thio)-
Property Insights of Benzeneacetic acid, alpha-((4-methyl-6-phenyl-2-pyrimidinyl)thio)-
The XLogP value of 4.37002 indicates that Benzeneacetic acid, alpha-((4-methyl-6-phenyl-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-methyl-6-phenyl-2-pyrimidinyl)thio)-. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha-((4-methyl-6-phenyl-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-methyl-6-phenyl-2-pyrimidinyl)thio)-?
The CAS number of Benzeneacetic acid, alpha-((4-methyl-6-phenyl-2-pyrimidinyl)thio)- is 77517-15-8.
What is the molecular formula of Benzeneacetic acid, alpha-((4-methyl-6-phenyl-2-pyrimidinyl)thio)-?
The molecular formula of Benzeneacetic acid, alpha-((4-methyl-6-phenyl-2-pyrimidinyl)thio)- is C19H16N2O2S.
What is the molecular weight of Benzeneacetic acid, alpha-((4-methyl-6-phenyl-2-pyrimidinyl)thio)-?
The molecular weight of Benzeneacetic acid, alpha-((4-methyl-6-phenyl-2-pyrimidinyl)thio)- is 336.09 g/mol.
Where can I buy Benzeneacetic acid, alpha-((4-methyl-6-phenyl-2-pyrimidinyl)thio)-?
You can request a quote for Benzeneacetic acid, alpha-((4-methyl-6-phenyl-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-6-phenyl-2-pyrimidinyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha-((4-methyl-6-phenyl-2-pyrimidinyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.