Pyrazinecarboxylic acid, 3-amino-6-chloro-5-((2,2,2-trifluoroethyl)amino)-, methyl ester
TL;DR: Pyrazinecarboxylic acid, 3-amino-6-chloro-5-((2,2,2-trifluoroethyl)amino)-, methyl ester (CAS 1458-31-7) is a chemical compound with molecular formula C8H8ClF3N4O2 and molecular weight 284.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-6-chloro-5-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylate
Also Known As: Pyrazinecarboxylic acid, 3-amino-6-chloro-5-((2,2,2-trifluoroethyl)amino)-, methyl ester, Methyl 3-amino-6-chloro-5-((2,2,2-trifluoroethyl)amino)pyrazinecarboxylate, methyl 3-amino-6-chloro-5-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylate, METHYL 3-AMINO-6-CHLORO-5-[(2,2,2-TRIFLUOROETHYL)AMINO]PYRAZINE-2-CARBOXYLATE
| Molecular Formula | C8H8ClF3N4O2 |
|---|---|
| Molecular Weight | 284.03 g/mol |
| LogP | 1.473 |
| Topological Polar Surface Area | 90.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.02878 |
| Heavy Atoms | 18 |
| Complexity | 466.3907 |
Chemical Identifiers
| CAS Number | 1458-31-7 |
|---|---|
| SMILES | COC(=O)C1=C(N=C(C(=N1)Cl)NCC(F)(F)F)N |
Product Overview
Pyrazinecarboxylic acid, 3-amino-6-chloro-5-((2,2,2-trifluoroethyl)amino)-, methyl ester (CAS 1458-31-7), with molecular formula C8H8ClF3N4O2 and molecular weight 284.03 g/mol. IUPAC: methyl 3-amino-6-chloro-5-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylate.
Chemical Property Profile of Pyrazinecarboxylic acid, 3-amino-6-chloro-5-((2,2,2-trifluoroethyl)amino)-, methyl ester
Property Insights of Pyrazinecarboxylic acid, 3-amino-6-chloro-5-((2,2,2-trifluoroethyl)amino)-, methyl ester
The XLogP value of 1.473 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazinecarboxylic acid, 3-amino-6-chloro-5-((2,2,2-trifluoroethyl)amino)-, methyl ester. The TPSA of 90.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrazinecarboxylic acid, 3-amino-6-chloro-5-((2,2,2-trifluoroethyl)amino)-, methyl ester. Following Lipinski's Rule of Five, Pyrazinecarboxylic acid, 3-amino-6-chloro-5-((2,2,2-trifluoroethyl)amino)-, methyl ester has 2 hydrogen bond donor(s) and 6 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 Pyrazinecarboxylic acid, 3-amino-6-chloro-5-((2,2,2-trifluoroethyl)amino)-, methyl ester?
The CAS number of Pyrazinecarboxylic acid, 3-amino-6-chloro-5-((2,2,2-trifluoroethyl)amino)-, methyl ester is 1458-31-7.
What is the molecular formula of Pyrazinecarboxylic acid, 3-amino-6-chloro-5-((2,2,2-trifluoroethyl)amino)-, methyl ester?
The molecular formula of Pyrazinecarboxylic acid, 3-amino-6-chloro-5-((2,2,2-trifluoroethyl)amino)-, methyl ester is C8H8ClF3N4O2.
What is the molecular weight of Pyrazinecarboxylic acid, 3-amino-6-chloro-5-((2,2,2-trifluoroethyl)amino)-, methyl ester?
The molecular weight of Pyrazinecarboxylic acid, 3-amino-6-chloro-5-((2,2,2-trifluoroethyl)amino)-, methyl ester is 284.03 g/mol.
Where can I buy Pyrazinecarboxylic acid, 3-amino-6-chloro-5-((2,2,2-trifluoroethyl)amino)-, methyl ester?
You can request a quote for Pyrazinecarboxylic acid, 3-amino-6-chloro-5-((2,2,2-trifluoroethyl)amino)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrazinecarboxylic acid, 3-amino-6-chloro-5-((2,2,2-trifluoroethyl)amino)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pyrazinecarboxylic acid, 3-amino-6-chloro-5-((2,2,2-trifluoroethyl)amino)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.