BAS 07779047
TL;DR: BAS 07779047 (CAS 132844-82-7) is a chemical compound with molecular formula C14H9F3N4S and molecular weight 322.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyridin-3-yl-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione
Also Known As: BAS 07779047, 2,4-Dihydro-5-(3-pyridinyl)-4-[2-(trifluoromethyl)phenyl]-3H-1,2,4-triazole-3-thione, 5-(pyridin-3-yl)-4-[2-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, 3-pyridin-3-yl-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione, 5-(3-pyridinyl)-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C14H9F3N4S |
|---|---|
| Molecular Weight | 322.05 g/mol |
| LogP | 4.01069 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.05 |
| Heavy Atoms | 22 |
| Complexity | 852.26965 |
Chemical Identifiers
| CAS Number | 132844-82-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)N2C(=NNC2=S)C3=CN=CC=C3 |
Product Overview
BAS 07779047 (CAS 132844-82-7), with molecular formula C14H9F3N4S and molecular weight 322.05 g/mol. IUPAC: 3-pyridin-3-yl-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of BAS 07779047
Property Insights of BAS 07779047
The XLogP value of 4.01069 indicates that BAS 07779047 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, BAS 07779047 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 07779047 has 1 hydrogen bond donor(s) and 3 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 BAS 07779047?
The CAS number of BAS 07779047 is 132844-82-7.
What is the molecular formula of BAS 07779047?
The molecular formula of BAS 07779047 is C14H9F3N4S.
What is the molecular weight of BAS 07779047?
The molecular weight of BAS 07779047 is 322.05 g/mol.
Where can I buy BAS 07779047?
You can request a quote for BAS 07779047 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07779047?
Yes, KEHONG BIO provides custom synthesis services for BAS 07779047 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.