7H-424S
TL;DR: 7H-424S (CAS 344268-84-4) is a chemical compound with molecular formula C23H28ClN3S2 and molecular weight 445.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-tert-butylphenyl)methylsulfanyl]-5-[(4-chlorophenyl)methylsulfanylmethyl]-4-ethyl-1,2,4-triazole
Also Known As: 7H-424S, 3-((4-(Tert-butyl)benzyl)sulfanyl)-5-(((4-chlorobenzyl)sulfanyl)methyl)-4-ethyl-4H-1,2,4-triazole, 3-[(4-tert-butylphenyl)methylsulfanyl]-5-[(4-chlorophenyl)methylsulfanylmethyl]-4-ethyl-1,2,4-triazole, 3-{[(4-tert-butylphenyl)methyl]sulfanyl}-5-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-4-ethyl-4H-1,2,4-triazole, 3-{[4-(tert-butyl)benzyl]sulfanyl}-5-{[(4-chlorobenzyl)sulfanyl]methyl}-4-ethyl-4H-1,2,4-triazole
| Molecular Formula | C23H28ClN3S2 |
|---|---|
| Molecular Weight | 445.14 g/mol |
| LogP | 6.9746 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.14133 |
| Heavy Atoms | 29 |
| Complexity | 912.79114 |
Chemical Identifiers
| CAS Number | 344268-84-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=C(C=C2)C(C)(C)C)CSCC3=CC=C(C=C3)Cl |
Product Overview
7H-424S (CAS 344268-84-4), with molecular formula C23H28ClN3S2 and molecular weight 445.14 g/mol. IUPAC: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-[(4-chlorophenyl)methylsulfanylmethyl]-4-ethyl-1,2,4-triazole.
Chemical Property Profile of 7H-424S
Property Insights of 7H-424S
The XLogP value of 6.9746 indicates that 7H-424S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 7H-424S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7H-424S 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 7H-424S?
The CAS number of 7H-424S is 344268-84-4.
What is the molecular formula of 7H-424S?
The molecular formula of 7H-424S is C23H28ClN3S2.
What is the molecular weight of 7H-424S?
The molecular weight of 7H-424S is 445.14 g/mol.
Where can I buy 7H-424S?
You can request a quote for 7H-424S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7H-424S?
Yes, KEHONG BIO provides custom synthesis services for 7H-424S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.