Benzeneacetic acid, alpha-((4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)-
TL;DR: Benzeneacetic acid, alpha-((4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)- (CAS 107072-32-2) is a chemical compound with molecular formula C19H13F3N2O2S and molecular weight 390.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetic acid
Also Known As: 2-Pyrimidinethioacetic acid, beta,4-diphenyl-6-(trifluoromethyl)-, alpha-((4-Phenyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)benzeneacetic acid, AB01318549-02, Benzeneacetic acid, alpha-((4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)-, 2-phenyl-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetic acid
| Molecular Formula | C19H13F3N2O2S |
|---|---|
| Molecular Weight | 390.06 g/mol |
| LogP | 5.0804 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.06497 |
| Heavy Atoms | 27 |
| Complexity | 934.68976 |
Chemical Identifiers
| CAS Number | 107072-32-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=NC(=N2)SC(C3=CC=CC=C3)C(=O)O)C(F)(F)F |
Product Overview
Benzeneacetic acid, alpha-((4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)- (CAS 107072-32-2), with molecular formula C19H13F3N2O2S and molecular weight 390.06 g/mol. IUPAC: 2-phenyl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetic acid.
Chemical Property Profile of Benzeneacetic acid, alpha-((4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)-
Property Insights of Benzeneacetic acid, alpha-((4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)-
The XLogP value of 5.0804 indicates that Benzeneacetic acid, alpha-((4-phenyl-6-(trifluoromethyl)-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-phenyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)-. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha-((4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzeneacetic acid, alpha-((4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)-?
The CAS number of Benzeneacetic acid, alpha-((4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)- is 107072-32-2.
What is the molecular formula of Benzeneacetic acid, alpha-((4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)-?
The molecular formula of Benzeneacetic acid, alpha-((4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)- is C19H13F3N2O2S.
What is the molecular weight of Benzeneacetic acid, alpha-((4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)-?
The molecular weight of Benzeneacetic acid, alpha-((4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)- is 390.06 g/mol.
Where can I buy Benzeneacetic acid, alpha-((4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)-?
You can request a quote for Benzeneacetic acid, alpha-((4-phenyl-6-(trifluoromethyl)-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-phenyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha-((4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.