3-((3-(Trifluoromethyl)phenyl)carbamoyl)pyrazine-2-carboxylic acid
TL;DR: 3-((3-(Trifluoromethyl)phenyl)carbamoyl)pyrazine-2-carboxylic acid (CAS 313649-50-2) is a chemical compound with molecular formula C13H8F3N3O3 and molecular weight 311.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
Also Known As: EC-000.1243, 3-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic Acid, 3-{[3-(trifluoromethyl)anilino]carbonyl}-2-pyrazinecarboxylic acid, 3-((3-(trifluoromethyl)phenyl)carbamoyl)pyrazine-2-carboxylic acid, 3-{[3-(trifluoromethyl)phenyl]carbamoyl}pyrazine-2-carboxylic acid
| Molecular Formula | C13H8F3N3O3 |
|---|---|
| Molecular Weight | 311.05 g/mol |
| LogP | 2.4459 |
| Topological Polar Surface Area | 92.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.0518 |
| Heavy Atoms | 22 |
| Complexity | 731.7105 |
Chemical Identifiers
| CAS Number | 313649-50-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)C2=NC=CN=C2C(=O)O)C(F)(F)F |
Product Overview
3-((3-(Trifluoromethyl)phenyl)carbamoyl)pyrazine-2-carboxylic acid (CAS 313649-50-2), with molecular formula C13H8F3N3O3 and molecular weight 311.05 g/mol. IUPAC: 3-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid.
Chemical Property Profile of 3-((3-(Trifluoromethyl)phenyl)carbamoyl)pyrazine-2-carboxylic acid
Property Insights of 3-((3-(Trifluoromethyl)phenyl)carbamoyl)pyrazine-2-carboxylic acid
The XLogP value of 2.4459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((3-(Trifluoromethyl)phenyl)carbamoyl)pyrazine-2-carboxylic acid. The TPSA of 92.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((3-(Trifluoromethyl)phenyl)carbamoyl)pyrazine-2-carboxylic acid. Following Lipinski's Rule of Five, 3-((3-(Trifluoromethyl)phenyl)carbamoyl)pyrazine-2-carboxylic acid has 2 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 3-((3-(Trifluoromethyl)phenyl)carbamoyl)pyrazine-2-carboxylic acid?
The CAS number of 3-((3-(Trifluoromethyl)phenyl)carbamoyl)pyrazine-2-carboxylic acid is 313649-50-2.
What is the molecular formula of 3-((3-(Trifluoromethyl)phenyl)carbamoyl)pyrazine-2-carboxylic acid?
The molecular formula of 3-((3-(Trifluoromethyl)phenyl)carbamoyl)pyrazine-2-carboxylic acid is C13H8F3N3O3.
What is the molecular weight of 3-((3-(Trifluoromethyl)phenyl)carbamoyl)pyrazine-2-carboxylic acid?
The molecular weight of 3-((3-(Trifluoromethyl)phenyl)carbamoyl)pyrazine-2-carboxylic acid is 311.05 g/mol.
Where can I buy 3-((3-(Trifluoromethyl)phenyl)carbamoyl)pyrazine-2-carboxylic acid?
You can request a quote for 3-((3-(Trifluoromethyl)phenyl)carbamoyl)pyrazine-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((3-(Trifluoromethyl)phenyl)carbamoyl)pyrazine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((3-(Trifluoromethyl)phenyl)carbamoyl)pyrazine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.