Bionet1_000967
TL;DR: Bionet1_000967 (CAS 338405-29-1) is a chemical compound with molecular formula C13H10F3N7O2 and molecular weight 353.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,2,4-triazol-1-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-3-carboxamide
Also Known As: Bionet1_000967, 3F-040, 3-(1H-1,2,4-triazol-1-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide, 5-(1,2,4-triazol-1-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-3-carboxamide, 3-[(1H-1,2,4-triazol-1-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide
| Molecular Formula | C13H10F3N7O2 |
|---|---|
| Molecular Weight | 353.08 g/mol |
| LogP | 1.5954 |
| Topological Polar Surface Area | 110.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.0848 |
| Heavy Atoms | 25 |
| Complexity | 843.3922 |
Chemical Identifiers
| CAS Number | 338405-29-1 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)C2=NNC(=N2)CN3C=NC=N3)OC(F)(F)F |
Product Overview
Bionet1_000967 (CAS 338405-29-1), with molecular formula C13H10F3N7O2 and molecular weight 353.08 g/mol. IUPAC: 5-(1,2,4-triazol-1-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-3-carboxamide.
Chemical Property Profile of Bionet1_000967
Property Insights of Bionet1_000967
The XLogP value of 1.5954 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_000967. The TPSA of 110.61 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_000967. Following Lipinski's Rule of Five, Bionet1_000967 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 Bionet1_000967?
The CAS number of Bionet1_000967 is 338405-29-1.
What is the molecular formula of Bionet1_000967?
The molecular formula of Bionet1_000967 is C13H10F3N7O2.
What is the molecular weight of Bionet1_000967?
The molecular weight of Bionet1_000967 is 353.08 g/mol.
Where can I buy Bionet1_000967?
You can request a quote for Bionet1_000967 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000967?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000967 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.