7L-542S
TL;DR: 7L-542S (CAS 339015-50-8) is a chemical compound with molecular formula C22H17Cl2N3S2 and molecular weight 457.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(2-methylsulfanylphenyl)-4-phenyl-1,2,4-triazole
Also Known As: 7L-542S, 3-[(3,4-dichlorobenzyl)sulfanyl]-5-[2-(methylsulfanyl)phenyl]-4-phenyl-4H-1,2,4-triazole, 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(2-methylsulfanylphenyl)-4-phenyl-1,2,4-triazole, 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-[2-(methylsulfanyl)phenyl]-4-phenyl-4H-1,2,4-triazole
| Molecular Formula | C22H17Cl2N3S2 |
|---|---|
| Molecular Weight | 457.02 g/mol |
| LogP | 7.2553 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.0241 |
| Heavy Atoms | 29 |
| Complexity | 1130.1229 |
Chemical Identifiers
| CAS Number | 339015-50-8 |
|---|---|
| SMILES | CSC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=C(C=C4)Cl)Cl |
Product Overview
7L-542S (CAS 339015-50-8), with molecular formula C22H17Cl2N3S2 and molecular weight 457.02 g/mol. IUPAC: 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(2-methylsulfanylphenyl)-4-phenyl-1,2,4-triazole.
Chemical Property Profile of 7L-542S
Property Insights of 7L-542S
The XLogP value of 7.2553 indicates that 7L-542S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 7L-542S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7L-542S has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7L-542S?
The CAS number of 7L-542S is 339015-50-8.
What is the molecular formula of 7L-542S?
The molecular formula of 7L-542S is C22H17Cl2N3S2.
What is the molecular weight of 7L-542S?
The molecular weight of 7L-542S is 457.02 g/mol.
Where can I buy 7L-542S?
You can request a quote for 7L-542S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7L-542S?
Yes, KEHONG BIO provides custom synthesis services for 7L-542S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.