![5-({[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]-thio}methyl)-2-furoic acid structure](/static/products/7256/725699-00-3.webp)
5-({[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]-thio}methyl)-2-furoic acid
TL;DR: 5-({[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]-thio}methyl)-2-furoic acid (CAS 725699-00-3) is a chemical compound with molecular formula C12H9F3N2O3S and molecular weight 318.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid
Also Known As: ChemDiv3_007219, 5-({[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]-thio}methyl)-2-furoic acid, IDI1_025129, 5-({[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]thio}methyl)-2-furoic acid, 5-(((4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl)thio)methyl)furan-2-carboxylic acid
| Molecular Formula | C12H9F3N2O3S |
|---|---|
| Molecular Weight | 318.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.0286 |
| Heavy Atoms | 21 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 725699-00-3 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)C(F)(F)F |
| InChIKey | NQTKTDJZTAKSLU-UHFFFAOYSA-N |
Product Overview
5-({[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]-thio}methyl)-2-furoic acid (CAS 725699-00-3), with molecular formula C12H9F3N2O3S and molecular weight 318.03 g/mol. IUPAC: 5-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid.
Chemical Property Profile of 5-({[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]-thio}methyl)-2-furoic acid
Property Insights of 5-({[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]-thio}methyl)-2-furoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-({[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]-thio}methyl)-2-furoic acid. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-({[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]-thio}methyl)-2-furoic acid. Following Lipinski's Rule of Five, 5-({[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]-thio}methyl)-2-furoic acid has 1 hydrogen bond donor(s) and 9 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 5-({[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]-thio}methyl)-2-furoic acid?
The CAS number of 5-({[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]-thio}methyl)-2-furoic acid is 725699-00-3.
What is the molecular formula of 5-({[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]-thio}methyl)-2-furoic acid?
The molecular formula of 5-({[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]-thio}methyl)-2-furoic acid is C12H9F3N2O3S.
What is the molecular weight of 5-({[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]-thio}methyl)-2-furoic acid?
The molecular weight of 5-({[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]-thio}methyl)-2-furoic acid is 318.03 g/mol.
Where can I buy 5-({[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]-thio}methyl)-2-furoic acid?
You can request a quote for 5-({[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]-thio}methyl)-2-furoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-({[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]-thio}methyl)-2-furoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-({[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]-thio}methyl)-2-furoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.