Bionet1_003519
TL;DR: Bionet1_003519 (CAS 478043-72-0) is a chemical compound with molecular formula C15H10F4N4S and molecular weight 354.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-fluorophenyl)-2-(3,4,4-trifluorobut-3-enylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
Also Known As: Bionet1_003519, 4N-759, 7-(4-fluorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl 3,4,4-trifluoro-3-butenyl sulfide, 7-(4-fluorophenyl)-2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine, 7-(4-fluorophenyl)-2-(3,4,4-trifluorobut-3-enylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
| Molecular Formula | C15H10F4N4S |
|---|---|
| Molecular Weight | 354.06 g/mol |
| LogP | 4.4902 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.05624 |
| Heavy Atoms | 24 |
| Complexity | 888.1304 |
Chemical Identifiers
| CAS Number | 478043-72-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC=NC3=NC(=NN23)SCCC(=C(F)F)F)F |
Product Overview
Bionet1_003519 (CAS 478043-72-0), with molecular formula C15H10F4N4S and molecular weight 354.06 g/mol. IUPAC: 7-(4-fluorophenyl)-2-(3,4,4-trifluorobut-3-enylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
Chemical Property Profile of Bionet1_003519
Property Insights of Bionet1_003519
The XLogP value of 4.4902 indicates that Bionet1_003519 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.08 Ų, Bionet1_003519 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_003519 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_003519?
The CAS number of Bionet1_003519 is 478043-72-0.
What is the molecular formula of Bionet1_003519?
The molecular formula of Bionet1_003519 is C15H10F4N4S.
What is the molecular weight of Bionet1_003519?
The molecular weight of Bionet1_003519 is 354.06 g/mol.
Where can I buy Bionet1_003519?
You can request a quote for Bionet1_003519 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_003519?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_003519 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.