Acetic acid, ((4-methyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)-
TL;DR: Acetic acid, ((4-methyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)- (CAS 88768-46-1) is a chemical compound with molecular formula C8H7F3N2O2S and molecular weight 252.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetic acid
Also Known As: ((4-Methyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)acetic acid, 2085AF, BAS 03184335, (4-Methyl-6-trifluoromethyl-pyrimidin-2-yl-sulfanyl)-acetic acid, 2-((4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl)thio)acetic acid
| Molecular Formula | C8H7F3N2O2S |
|---|---|
| Molecular Weight | 252.02 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 88.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.01804 |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 88768-46-1 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC(=O)O)C(F)(F)F |
| InChIKey | CFISBGQUGUUNRD-UHFFFAOYSA-N |
Product Overview
Acetic acid, ((4-methyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)- (CAS 88768-46-1), with molecular formula C8H7F3N2O2S and molecular weight 252.02 g/mol. IUPAC: 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetic acid.
Chemical Property Profile of Acetic acid, ((4-methyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)-
Property Insights of Acetic acid, ((4-methyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, ((4-methyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)-. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((4-methyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)-. Following Lipinski's Rule of Five, Acetic acid, ((4-methyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)- has 1 hydrogen bond donor(s) and 8 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 Acetic acid, ((4-methyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)-?
The CAS number of Acetic acid, ((4-methyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)- is 88768-46-1.
What is the molecular formula of Acetic acid, ((4-methyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)-?
The molecular formula of Acetic acid, ((4-methyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)- is C8H7F3N2O2S.
What is the molecular weight of Acetic acid, ((4-methyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)-?
The molecular weight of Acetic acid, ((4-methyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)- is 252.02 g/mol.
Where can I buy Acetic acid, ((4-methyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)-?
You can request a quote for Acetic acid, ((4-methyl-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 Acetic acid, ((4-methyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, ((4-methyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.