BAS 07778944
TL;DR: BAS 07778944 (CAS 696624-10-9) is a chemical compound with molecular formula C14H8ClF3N4S and molecular weight 356.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Also Known As: BAS 07778944, A3429/0145512, 4-(2-chloro-5-(trifluoromethyl)phenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol, 4-(2-Chloro-5-trifluoromethyl-phenyl)-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol, 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C14H8ClF3N4S |
|---|---|
| Molecular Weight | 356.01 g/mol |
| LogP | 4.66409 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.01102 |
| Heavy Atoms | 23 |
| Complexity | 902.3761 |
Chemical Identifiers
| CAS Number | 696624-10-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)N2C(=NNC2=S)C3=CC=NC=C3)Cl |
Product Overview
BAS 07778944 (CAS 696624-10-9), with molecular formula C14H8ClF3N4S and molecular weight 356.01 g/mol. IUPAC: 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of BAS 07778944
Property Insights of BAS 07778944
The XLogP value of 4.66409 indicates that BAS 07778944 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 07778944 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 07778944 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 07778944?
The CAS number of BAS 07778944 is 696624-10-9.
What is the molecular formula of BAS 07778944?
The molecular formula of BAS 07778944 is C14H8ClF3N4S.
What is the molecular weight of BAS 07778944?
The molecular weight of BAS 07778944 is 356.01 g/mol.
Where can I buy BAS 07778944?
You can request a quote for BAS 07778944 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07778944?
Yes, KEHONG BIO provides custom synthesis services for BAS 07778944 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.