4-((E)-((E)-2-chloro-3-phenylallylidene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((E)-((E)-2-chloro-3-phenylallylidene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol (CAS 488747-54-2) is a chemical compound with molecular formula C17H19ClN4S and molecular weight 346.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-3-cyclohexyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-((E)-((E)-2-chloro-3-phenylallylidene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol, 4-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-3-cyclohexyl-1H-1,2,4-triazole-5-thione, 4-[(E)-2-Chloro-3-phenyl-prop-2-en-(E)-ylideneamino]-5-cyclohexyl-4H-[1,2,4]triazole-3-thiol
| Molecular Formula | C17H19ClN4S |
|---|---|
| Molecular Weight | 346.10 g/mol |
| LogP | 5.10219 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.1019 |
| Heavy Atoms | 23 |
| Complexity | 754.4006 |
Chemical Identifiers
| CAS Number | 488747-54-2 |
|---|---|
| SMILES | C1CCC(CC1)C2=NNC(=S)N2/N=C/C(=C\C3=CC=CC=C3)/Cl |
Product Overview
4-((E)-((E)-2-chloro-3-phenylallylidene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol (CAS 488747-54-2), with molecular formula C17H19ClN4S and molecular weight 346.10 g/mol. IUPAC: 4-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-3-cyclohexyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((E)-((E)-2-chloro-3-phenylallylidene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((E)-((E)-2-chloro-3-phenylallylidene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.10219 indicates that 4-((E)-((E)-2-chloro-3-phenylallylidene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.97 Ų, 4-((E)-((E)-2-chloro-3-phenylallylidene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((E)-((E)-2-chloro-3-phenylallylidene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((E)-((E)-2-chloro-3-phenylallylidene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((E)-((E)-2-chloro-3-phenylallylidene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol is 488747-54-2.
What is the molecular formula of 4-((E)-((E)-2-chloro-3-phenylallylidene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((E)-((E)-2-chloro-3-phenylallylidene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol is C17H19ClN4S.
What is the molecular weight of 4-((E)-((E)-2-chloro-3-phenylallylidene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((E)-((E)-2-chloro-3-phenylallylidene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol is 346.10 g/mol.
Where can I buy 4-((E)-((E)-2-chloro-3-phenylallylidene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((E)-((E)-2-chloro-3-phenylallylidene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((E)-((E)-2-chloro-3-phenylallylidene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((E)-((E)-2-chloro-3-phenylallylidene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.