Bionet1_003581
TL;DR: Bionet1_003581 (CAS 672951-89-2) is a chemical compound with molecular formula C12H7ClF6N4S and molecular weight 388.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-[3-(3,4,4-trifluorobut-3-enylsulfanyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine
Also Known As: Bionet1_003581, 6N-776, 3-chloro-2-[3-(3,4,4-trifluorobut-3-enylsulfanyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine, 3-chloro-2-{3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-5-(trifluoromethyl)pyridine, 3-chloro-2-{3-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}-5-(trifluoromethyl)pyridine
| Molecular Formula | C12H7ClF6N4S |
|---|---|
| Molecular Weight | 388.00 g/mol |
| LogP | 4.8943 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.9984 |
| Heavy Atoms | 24 |
| Complexity | 756.24664 |
Chemical Identifiers
| CAS Number | 672951-89-2 |
|---|---|
| SMILES | C1=C(C=NC(=C1Cl)N2C=NC(=N2)SCCC(=C(F)F)F)C(F)(F)F |
Product Overview
Bionet1_003581 (CAS 672951-89-2), with molecular formula C12H7ClF6N4S and molecular weight 388.00 g/mol. IUPAC: 3-chloro-2-[3-(3,4,4-trifluorobut-3-enylsulfanyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine.
Chemical Property Profile of Bionet1_003581
Property Insights of Bionet1_003581
The XLogP value of 4.8943 indicates that Bionet1_003581 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, Bionet1_003581 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_003581 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_003581?
The CAS number of Bionet1_003581 is 672951-89-2.
What is the molecular formula of Bionet1_003581?
The molecular formula of Bionet1_003581 is C12H7ClF6N4S.
What is the molecular weight of Bionet1_003581?
The molecular weight of Bionet1_003581 is 388.00 g/mol.
Where can I buy Bionet1_003581?
You can request a quote for Bionet1_003581 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_003581?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_003581 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.