5-Pyrimidinecarboxylic acid, 4-(alpha,alpha,alpha-trifluoro-m-toluidino)-
TL;DR: 5-Pyrimidinecarboxylic acid, 4-(alpha,alpha,alpha-trifluoro-m-toluidino)- (CAS 6454-66-6) is a chemical compound with molecular formula C12H8F3N3O2 and molecular weight 283.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid
Also Known As: 4-(3-Trifluoromethylanilino)pyrimidine-5-carboxylic acid, 5-25-16-00492 (Beilstein Handbook Reference), 4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid, 5-Pyrimidinecarboxylic acid, 4-(alpha,alpha,alpha-trifluoro-m-toluidino)-, 4-(alpha,alpha,alpha-Trifluoro-m-toluidino)-5-pyrimidinecarboxylic acid
| Molecular Formula | C12H8F3N3O2 |
|---|---|
| Molecular Weight | 283.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 75.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.05685 |
| Heavy Atoms | 20 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 6454-66-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC2=NC=NC=C2C(=O)O)C(F)(F)F |
| InChIKey | SPUINZMFNWDZEA-UHFFFAOYSA-N |
Product Overview
5-Pyrimidinecarboxylic acid, 4-(alpha,alpha,alpha-trifluoro-m-toluidino)- (CAS 6454-66-6), with molecular formula C12H8F3N3O2 and molecular weight 283.06 g/mol. IUPAC: 4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid.
Chemical Property Profile of 5-Pyrimidinecarboxylic acid, 4-(alpha,alpha,alpha-trifluoro-m-toluidino)-
Property Insights of 5-Pyrimidinecarboxylic acid, 4-(alpha,alpha,alpha-trifluoro-m-toluidino)-
The XLogP value of 3.0 indicates that 5-Pyrimidinecarboxylic acid, 4-(alpha,alpha,alpha-trifluoro-m-toluidino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Pyrimidinecarboxylic acid, 4-(alpha,alpha,alpha-trifluoro-m-toluidino)-. Following Lipinski's Rule of Five, 5-Pyrimidinecarboxylic acid, 4-(alpha,alpha,alpha-trifluoro-m-toluidino)- has 2 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 5-Pyrimidinecarboxylic acid, 4-(alpha,alpha,alpha-trifluoro-m-toluidino)-?
The CAS number of 5-Pyrimidinecarboxylic acid, 4-(alpha,alpha,alpha-trifluoro-m-toluidino)- is 6454-66-6.
What is the molecular formula of 5-Pyrimidinecarboxylic acid, 4-(alpha,alpha,alpha-trifluoro-m-toluidino)-?
The molecular formula of 5-Pyrimidinecarboxylic acid, 4-(alpha,alpha,alpha-trifluoro-m-toluidino)- is C12H8F3N3O2.
What is the molecular weight of 5-Pyrimidinecarboxylic acid, 4-(alpha,alpha,alpha-trifluoro-m-toluidino)-?
The molecular weight of 5-Pyrimidinecarboxylic acid, 4-(alpha,alpha,alpha-trifluoro-m-toluidino)- is 283.06 g/mol.
Where can I buy 5-Pyrimidinecarboxylic acid, 4-(alpha,alpha,alpha-trifluoro-m-toluidino)-?
You can request a quote for 5-Pyrimidinecarboxylic acid, 4-(alpha,alpha,alpha-trifluoro-m-toluidino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Pyrimidinecarboxylic acid, 4-(alpha,alpha,alpha-trifluoro-m-toluidino)-?
Yes, KEHONG BIO provides custom synthesis services for 5-Pyrimidinecarboxylic acid, 4-(alpha,alpha,alpha-trifluoro-m-toluidino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.