BAS 00792594
TL;DR: BAS 00792594 (CAS 5865-09-8) is a chemical compound with molecular formula C14H8Cl3N3S and molecular weight 354.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: BAS 00792594, 4-(4-Chloro-phenyl)-5-(2,4-dichloro-phenyl)-4H-[1,2,4]triazole-3-thiol, 4-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione, 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol, 5-(2,4-dichlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazole-3-thiol
| Molecular Formula | C14H8Cl3N3S |
|---|---|
| Molecular Weight | 354.95 g/mol |
| LogP | 5.55709 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.95044 |
| Heavy Atoms | 21 |
| Complexity | 852.64594 |
Chemical Identifiers
| CAS Number | 5865-09-8 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=NNC2=S)C3=C(C=C(C=C3)Cl)Cl)Cl |
Product Overview
BAS 00792594 (CAS 5865-09-8), with molecular formula C14H8Cl3N3S and molecular weight 354.95 g/mol. IUPAC: 4-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of BAS 00792594
Property Insights of BAS 00792594
The XLogP value of 5.55709 indicates that BAS 00792594 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.61 Ų, BAS 00792594 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00792594 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00792594?
The CAS number of BAS 00792594 is 5865-09-8.
What is the molecular formula of BAS 00792594?
The molecular formula of BAS 00792594 is C14H8Cl3N3S.
What is the molecular weight of BAS 00792594?
The molecular weight of BAS 00792594 is 354.95 g/mol.
Where can I buy BAS 00792594?
You can request a quote for BAS 00792594 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00792594?
Yes, KEHONG BIO provides custom synthesis services for BAS 00792594 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.