6L-597S
TL;DR: 6L-597S (CAS 338967-96-7) is a chemical compound with molecular formula C18H17Cl2N3S2 and molecular weight 409.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-5-(2-methylsulfanylphenyl)-1,2,4-triazole
Also Known As: 6L-597S, 3-[(3,4-dichlorobenzyl)sulfanyl]-4-ethyl-5-[2-(methylsulfanyl)phenyl]-4H-1,2,4-triazole, 3-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-5-(2-methylsulfanylphenyl)-1,2,4-triazole, 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4-ethyl-5-[2-(methylsulfanyl)phenyl]-4H-1,2,4-triazole
| Molecular Formula | C18H17Cl2N3S2 |
|---|---|
| Molecular Weight | 409.02 g/mol |
| LogP | 6.286 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.0241 |
| Heavy Atoms | 25 |
| Complexity | 880.50775 |
Chemical Identifiers
| CAS Number | 338967-96-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3SC |
Product Overview
6L-597S (CAS 338967-96-7), with molecular formula C18H17Cl2N3S2 and molecular weight 409.02 g/mol. IUPAC: 3-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-5-(2-methylsulfanylphenyl)-1,2,4-triazole.
Chemical Property Profile of 6L-597S
Property Insights of 6L-597S
The XLogP value of 6.286 indicates that 6L-597S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 6L-597S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6L-597S 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 6L-597S?
The CAS number of 6L-597S is 338967-96-7.
What is the molecular formula of 6L-597S?
The molecular formula of 6L-597S is C18H17Cl2N3S2.
What is the molecular weight of 6L-597S?
The molecular weight of 6L-597S is 409.02 g/mol.
Where can I buy 6L-597S?
You can request a quote for 6L-597S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6L-597S?
Yes, KEHONG BIO provides custom synthesis services for 6L-597S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.