![4-{[3-(benzyloxy)benzylidene]amino}-5-cyclohexyl-4H-1,2,4-triazole-3-thiol structure](/static/products/499/499209-45-9.png)
4-{[3-(benzyloxy)benzylidene]amino}-5-cyclohexyl-4H-1,2,4-triazole-3-thiol
TL;DR: 4-{[3-(benzyloxy)benzylidene]amino}-5-cyclohexyl-4H-1,2,4-triazole-3-thiol (CAS 499209-45-9) is a chemical compound with molecular formula C22H24N4OS and molecular weight 392.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyclohexyl-4-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((3-(benzyloxy)benzylidene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol, 3-cyclohexyl-4-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 4-({(E)-[3-(benzyloxy)phenyl]methylidene}amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol, 4-{[3-(benzyloxy)benzylidene]amino}-5-cyclohexyl-4H-1,2,4-triazole-3-thiol, 4-({(E)-[3-(benzyloxy)phenyl]methylidene}amino)-5-cyclohexyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C22H24N4OS |
|---|---|
| Molecular Weight | 392.17 g/mol |
| LogP | 5.44959 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.16708 |
| Heavy Atoms | 28 |
| Complexity | 987.0263 |
Chemical Identifiers
| CAS Number | 499209-45-9 |
|---|---|
| SMILES | C1CCC(CC1)C2=NNC(=S)N2/N=C/C3=CC(=CC=C3)OCC4=CC=CC=C4 |
Product Overview
4-{[3-(benzyloxy)benzylidene]amino}-5-cyclohexyl-4H-1,2,4-triazole-3-thiol (CAS 499209-45-9), with molecular formula C22H24N4OS and molecular weight 392.17 g/mol. IUPAC: 3-cyclohexyl-4-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-{[3-(benzyloxy)benzylidene]amino}-5-cyclohexyl-4H-1,2,4-triazole-3-thiol
Property Insights of 4-{[3-(benzyloxy)benzylidene]amino}-5-cyclohexyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.44959 indicates that 4-{[3-(benzyloxy)benzylidene]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 55.2 Ų, 4-{[3-(benzyloxy)benzylidene]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-{[3-(benzyloxy)benzylidene]amino}-5-cyclohexyl-4H-1,2,4-triazole-3-thiol has 1 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 4-{[3-(benzyloxy)benzylidene]amino}-5-cyclohexyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-{[3-(benzyloxy)benzylidene]amino}-5-cyclohexyl-4H-1,2,4-triazole-3-thiol is 499209-45-9.
What is the molecular formula of 4-{[3-(benzyloxy)benzylidene]amino}-5-cyclohexyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-{[3-(benzyloxy)benzylidene]amino}-5-cyclohexyl-4H-1,2,4-triazole-3-thiol is C22H24N4OS.
What is the molecular weight of 4-{[3-(benzyloxy)benzylidene]amino}-5-cyclohexyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-{[3-(benzyloxy)benzylidene]amino}-5-cyclohexyl-4H-1,2,4-triazole-3-thiol is 392.17 g/mol.
Where can I buy 4-{[3-(benzyloxy)benzylidene]amino}-5-cyclohexyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-{[3-(benzyloxy)benzylidene]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-{[3-(benzyloxy)benzylidene]amino}-5-cyclohexyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-{[3-(benzyloxy)benzylidene]amino}-5-cyclohexyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.