Bionet1_004332
TL;DR: Bionet1_004332 (CAS 477847-94-2) is a chemical compound with molecular formula C17H10F6N4O and molecular weight 400.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[3,5-bis(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]-pyridin-4-ylmethanone
Also Known As: Bionet1_004332, {1-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazol-4-yl}(4-pyridinyl)methanone, 10P-733, [1-[3,5-bis(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]-pyridin-4-ylmethanone, 4-{1-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazole-4-carbonyl}pyridine
| Molecular Formula | C17H10F6N4O |
|---|---|
| Molecular Weight | 400.08 g/mol |
| LogP | 4.23932 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.07587 |
| Heavy Atoms | 28 |
| Complexity | 992.11224 |
Chemical Identifiers
| CAS Number | 477847-94-2 |
|---|---|
| SMILES | CC1=C(N=NN1C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)C3=CC=NC=C3 |
Product Overview
Bionet1_004332 (CAS 477847-94-2), with molecular formula C17H10F6N4O and molecular weight 400.08 g/mol. IUPAC: [1-[3,5-bis(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]-pyridin-4-ylmethanone.
Chemical Property Profile of Bionet1_004332
Property Insights of Bionet1_004332
The XLogP value of 4.23932 indicates that Bionet1_004332 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_004332. Following Lipinski's Rule of Five, Bionet1_004332 has 0 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 Bionet1_004332?
The CAS number of Bionet1_004332 is 477847-94-2.
What is the molecular formula of Bionet1_004332?
The molecular formula of Bionet1_004332 is C17H10F6N4O.
What is the molecular weight of Bionet1_004332?
The molecular weight of Bionet1_004332 is 400.08 g/mol.
Where can I buy Bionet1_004332?
You can request a quote for Bionet1_004332 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004332?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004332 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.