Bionet1_001698
TL;DR: Bionet1_001698 (CAS 339010-57-0) is a chemical compound with molecular formula C16H12ClF3N4S and molecular weight 384.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: Bionet1_001698, 5-{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl}-4-phenyl-4H-1,2,4-triazole-3-thiol, 7G-033, 5-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl}-4-phenyl-4H-1,2,4-triazole-3-thiol, 3-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C16H12ClF3N4S |
|---|---|
| Molecular Weight | 384.04 g/mol |
| LogP | 5.14889 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.04233 |
| Heavy Atoms | 25 |
| Complexity | 950.00397 |
Chemical Identifiers
| CAS Number | 339010-57-0 |
|---|---|
| SMILES | CC(C1=C(C=C(C=N1)C(F)(F)F)Cl)C2=NNC(=S)N2C3=CC=CC=C3 |
Product Overview
Bionet1_001698 (CAS 339010-57-0), with molecular formula C16H12ClF3N4S and molecular weight 384.04 g/mol. IUPAC: 3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of Bionet1_001698
Property Insights of Bionet1_001698
The XLogP value of 5.14889 indicates that Bionet1_001698 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Bionet1_001698 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_001698 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bionet1_001698?
The CAS number of Bionet1_001698 is 339010-57-0.
What is the molecular formula of Bionet1_001698?
The molecular formula of Bionet1_001698 is C16H12ClF3N4S.
What is the molecular weight of Bionet1_001698?
The molecular weight of Bionet1_001698 is 384.04 g/mol.
Where can I buy Bionet1_001698?
You can request a quote for Bionet1_001698 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_001698?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_001698 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.