Bionet1_003051
TL;DR: Bionet1_003051 (CAS 338748-52-0) is a chemical compound with molecular formula C17H17F3N6O and molecular weight 378.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
Also Known As: Bionet1_003051, EiM08-09647, 4M-754, 6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine, 1-(4-methoxyphenyl)-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine
| Molecular Formula | C17H17F3N6O |
|---|---|
| Molecular Weight | 378.14 g/mol |
| LogP | 2.4783 |
| Topological Polar Surface Area | 58.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.1416 |
| Heavy Atoms | 27 |
| Complexity | 931.9869 |
Chemical Identifiers
| CAS Number | 338748-52-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2CCN(CC2)C3=NN4C(=NN=C4C(F)(F)F)C=C3 |
Product Overview
Bionet1_003051 (CAS 338748-52-0), with molecular formula C17H17F3N6O and molecular weight 378.14 g/mol. IUPAC: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
Chemical Property Profile of Bionet1_003051
Property Insights of Bionet1_003051
The XLogP value of 2.4783 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_003051. With a topological polar surface area (TPSA) of 58.79 Ų, Bionet1_003051 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_003051 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_003051?
The CAS number of Bionet1_003051 is 338748-52-0.
What is the molecular formula of Bionet1_003051?
The molecular formula of Bionet1_003051 is C17H17F3N6O.
What is the molecular weight of Bionet1_003051?
The molecular weight of Bionet1_003051 is 378.14 g/mol.
Where can I buy Bionet1_003051?
You can request a quote for Bionet1_003051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_003051?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_003051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.