A2679/0114166
TL;DR: A2679/0114166 (CAS 348592-88-1) is a chemical compound with molecular formula C25H24ClN3S and molecular weight 433.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-5-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole
Also Known As: A2679/0114166, 3-(4-tert-butylphenyl)-5-{[(2-chlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole, 3-(4-(tert-butyl)phenyl)-5-((2-chlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazole, 3-(4-tert-butylphenyl)-5-[(2-chlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole, 3-(4-tert-butylphenyl)-5-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole
| Molecular Formula | C25H24ClN3S |
|---|---|
| Molecular Weight | 433.14 g/mol |
| LogP | 7.1775 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 433.13794 |
| Heavy Atoms | 30 |
| Complexity | 1129.2799 |
Chemical Identifiers
| CAS Number | 348592-88-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4Cl |
Product Overview
A2679/0114166 (CAS 348592-88-1), with molecular formula C25H24ClN3S and molecular weight 433.14 g/mol. IUPAC: 3-(4-tert-butylphenyl)-5-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole.
Chemical Property Profile of A2679/0114166
Property Insights of A2679/0114166
The XLogP value of 7.1775 indicates that A2679/0114166 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, A2679/0114166 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2679/0114166 has 0 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 A2679/0114166?
The CAS number of A2679/0114166 is 348592-88-1.
What is the molecular formula of A2679/0114166?
The molecular formula of A2679/0114166 is C25H24ClN3S.
What is the molecular weight of A2679/0114166?
The molecular weight of A2679/0114166 is 433.14 g/mol.
Where can I buy A2679/0114166?
You can request a quote for A2679/0114166 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2679/0114166?
Yes, KEHONG BIO provides custom synthesis services for A2679/0114166 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.