7H-442S
TL;DR: 7H-442S (CAS 344269-80-3) is a chemical compound with molecular formula C19H19ClFN3S2 and molecular weight 407.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methylsulfanylmethyl]-4-ethyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazole
Also Known As: 7H-442S, 4-chlorobenzyl {4-ethyl-5-[(3-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl sulfide, 3-[(4-chlorophenyl)methylsulfanylmethyl]-4-ethyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazole, 3-(((4-Chlorobenzyl)thio)methyl)-4-ethyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazole, 3-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-4-ethyl-5-{[(3-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole
| Molecular Formula | C19H19ClFN3S2 |
|---|---|
| Molecular Weight | 407.07 g/mol |
| LogP | 5.8162 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 407.0693 |
| Heavy Atoms | 26 |
| Complexity | 852.2455 |
Chemical Identifiers
| CAS Number | 344269-80-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC(=CC=C2)F)CSCC3=CC=C(C=C3)Cl |
Product Overview
7H-442S (CAS 344269-80-3), with molecular formula C19H19ClFN3S2 and molecular weight 407.07 g/mol. IUPAC: 3-[(4-chlorophenyl)methylsulfanylmethyl]-4-ethyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazole.
Chemical Property Profile of 7H-442S
Property Insights of 7H-442S
The XLogP value of 5.8162 indicates that 7H-442S 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-442S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7H-442S 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-442S?
The CAS number of 7H-442S is 344269-80-3.
What is the molecular formula of 7H-442S?
The molecular formula of 7H-442S is C19H19ClFN3S2.
What is the molecular weight of 7H-442S?
The molecular weight of 7H-442S is 407.07 g/mol.
Where can I buy 7H-442S?
You can request a quote for 7H-442S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7H-442S?
Yes, KEHONG BIO provides custom synthesis services for 7H-442S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.