7H-468S
TL;DR: 7H-468S (CAS 344271-07-4) is a chemical compound with molecular formula C19H17Cl3FN3S2 and molecular weight 474.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-[(2,6-dichlorophenyl)methylsulfanylmethyl]-4-ethyl-1,2,4-triazole
Also Known As: 7H-468S, 3-[(2-chloro-6-fluorobenzyl)sulfanyl]-5-{[(2,6-dichlorobenzyl)sulfanyl]methyl}-4-ethyl-4H-1,2,4-triazole, 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-[(2,6-dichlorophenyl)methylsulfanylmethyl]-4-ethyl-1,2,4-triazole, 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-({[(2,6-dichlorophenyl)methyl]sulfanyl}methyl)-4-ethyl-4H-1,2,4-triazole
| Molecular Formula | C19H17Cl3FN3S2 |
|---|---|
| Molecular Weight | 474.99 g/mol |
| LogP | 7.123 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 474.99136 |
| Heavy Atoms | 28 |
| Complexity | 925.09204 |
Chemical Identifiers
| CAS Number | 344271-07-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=C(C=CC=C2Cl)F)CSCC3=C(C=CC=C3Cl)Cl |
Product Overview
7H-468S (CAS 344271-07-4), with molecular formula C19H17Cl3FN3S2 and molecular weight 474.99 g/mol. IUPAC: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-[(2,6-dichlorophenyl)methylsulfanylmethyl]-4-ethyl-1,2,4-triazole.
Chemical Property Profile of 7H-468S
Property Insights of 7H-468S
The XLogP value of 7.123 indicates that 7H-468S 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-468S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7H-468S 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-468S?
The CAS number of 7H-468S is 344271-07-4.
What is the molecular formula of 7H-468S?
The molecular formula of 7H-468S is C19H17Cl3FN3S2.
What is the molecular weight of 7H-468S?
The molecular weight of 7H-468S is 474.99 g/mol.
Where can I buy 7H-468S?
You can request a quote for 7H-468S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7H-468S?
Yes, KEHONG BIO provides custom synthesis services for 7H-468S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.