J1.591.796B
TL;DR: J1.591.796B (CAS 80616-56-4) is a chemical compound with molecular formula C6H3F6N5O2 and molecular weight 291.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-N-[3-[(2,2,2-trifluoroacetyl)amino]-1H-1,2,4-triazol-5-yl]acetamide
Also Known As: J1.591.796B, 2,2,2-trifluoro-N-[3-[(2,2,2-trifluoroacetyl)amino]-1H-1,2,4-triazol-5-yl]acetamide, 2,2,2-trifluoro-N-[3-[(2,2,2-trifluoroacetyl)amino]-1H-1,2,4, N,N'-(1H-1,2,4-Triazole-3,5-diyl)bis(2,2,2-trifluoroacetamide), N,N -(1H-1,2,4-Triazole-3,5-diyl)bis(2,2,2-trifluoroacetamide)
| Molecular Formula | C6H3F6N5O2 |
|---|---|
| Molecular Weight | 291.02 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 99.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.0191 |
| Heavy Atoms | 19 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 80616-56-4 |
|---|---|
| SMILES | C1(=NC(=NN1)NC(=O)C(F)(F)F)NC(=O)C(F)(F)F |
| InChIKey | PIIVXXVXTONMLG-UHFFFAOYSA-N |
Product Overview
J1.591.796B (CAS 80616-56-4), with molecular formula C6H3F6N5O2 and molecular weight 291.02 g/mol. IUPAC: 2,2,2-trifluoro-N-[3-[(2,2,2-trifluoroacetyl)amino]-1H-1,2,4-triazol-5-yl]acetamide.
Chemical Property Profile of J1.591.796B
Property Insights of J1.591.796B
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.591.796B. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.591.796B. Following Lipinski's Rule of Five, J1.591.796B has 3 hydrogen bond donor(s) and 10 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 J1.591.796B?
The CAS number of J1.591.796B is 80616-56-4.
What is the molecular formula of J1.591.796B?
The molecular formula of J1.591.796B is C6H3F6N5O2.
What is the molecular weight of J1.591.796B?
The molecular weight of J1.591.796B is 291.02 g/mol.
Where can I buy J1.591.796B?
You can request a quote for J1.591.796B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.591.796B?
Yes, KEHONG BIO provides custom synthesis services for J1.591.796B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.