Bionet1_004102
TL;DR: Bionet1_004102 (CAS 478248-70-3) is a chemical compound with molecular formula C14H11F3N6O2 and molecular weight 352.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,2,4-triazol-1-yl)-1-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]propan-1-one
Also Known As: Bionet1_004102, DivK1c_002598, CDS1_001558, 9P-737, 2-(1H-1,2,4-triazol-1-yl)-1-{1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}-1-propanone
| Molecular Formula | C14H11F3N6O2 |
|---|---|
| Molecular Weight | 352.09 g/mol |
| LogP | 2.2013 |
| Topological Polar Surface Area | 87.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.08957 |
| Heavy Atoms | 25 |
| Complexity | 857.58185 |
Chemical Identifiers
| CAS Number | 478248-70-3 |
|---|---|
| SMILES | CC(C(=O)C1=CN(N=N1)C2=CC=C(C=C2)OC(F)(F)F)N3C=NC=N3 |
Product Overview
Bionet1_004102 (CAS 478248-70-3), with molecular formula C14H11F3N6O2 and molecular weight 352.09 g/mol. IUPAC: 2-(1,2,4-triazol-1-yl)-1-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]propan-1-one.
Chemical Property Profile of Bionet1_004102
Property Insights of Bionet1_004102
The XLogP value of 2.2013 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_004102. The TPSA of 87.72 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_004102. Following Lipinski's Rule of Five, Bionet1_004102 has 0 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_004102?
The CAS number of Bionet1_004102 is 478248-70-3.
What is the molecular formula of Bionet1_004102?
The molecular formula of Bionet1_004102 is C14H11F3N6O2.
What is the molecular weight of Bionet1_004102?
The molecular weight of Bionet1_004102 is 352.09 g/mol.
Where can I buy Bionet1_004102?
You can request a quote for Bionet1_004102 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004102?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004102 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.