3-cinnamylsulfanyl-4-phenyl-5-(4-tert-butylphenyl)-1,2,4-triazole
TL;DR: 3-cinnamylsulfanyl-4-phenyl-5-(4-tert-butylphenyl)-1,2,4-triazole (CAS 862116-00-5) is a chemical compound with molecular formula C27H27N3S and molecular weight 425.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-4-phenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole
Also Known As: 3-cinnamylsulfanyl-4-phenyl-5-(4-tert-butylphenyl)-1,2,4-triazole, 3-(4-(tert-butyl)phenyl)-5-(cinnamylthio)-4-phenyl-4H-1,2,4-triazole, 3-(4-tert-butylphenyl)-4-phenyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole, 3-((2E)-3-phenylprop-2-enylthio)-5-[4-(tert-butyl)phenyl]-4-phenyl-1,2,4-triaz ole, 3-(4-tert-butylphenyl)-4-phenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole
| Molecular Formula | C27H27N3S |
|---|---|
| Molecular Weight | 425.19 g/mol |
| LogP | 7.0373 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.19257 |
| Heavy Atoms | 31 |
| Complexity | 1138.8231 |
Chemical Identifiers
| CAS Number | 862116-00-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SC/C=C/C4=CC=CC=C4 |
Product Overview
3-cinnamylsulfanyl-4-phenyl-5-(4-tert-butylphenyl)-1,2,4-triazole (CAS 862116-00-5), with molecular formula C27H27N3S and molecular weight 425.19 g/mol. IUPAC: 3-(4-tert-butylphenyl)-4-phenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole.
Chemical Property Profile of 3-cinnamylsulfanyl-4-phenyl-5-(4-tert-butylphenyl)-1,2,4-triazole
Property Insights of 3-cinnamylsulfanyl-4-phenyl-5-(4-tert-butylphenyl)-1,2,4-triazole
The XLogP value of 7.0373 indicates that 3-cinnamylsulfanyl-4-phenyl-5-(4-tert-butylphenyl)-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 3-cinnamylsulfanyl-4-phenyl-5-(4-tert-butylphenyl)-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-cinnamylsulfanyl-4-phenyl-5-(4-tert-butylphenyl)-1,2,4-triazole has 0 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 3-cinnamylsulfanyl-4-phenyl-5-(4-tert-butylphenyl)-1,2,4-triazole?
The CAS number of 3-cinnamylsulfanyl-4-phenyl-5-(4-tert-butylphenyl)-1,2,4-triazole is 862116-00-5.
What is the molecular formula of 3-cinnamylsulfanyl-4-phenyl-5-(4-tert-butylphenyl)-1,2,4-triazole?
The molecular formula of 3-cinnamylsulfanyl-4-phenyl-5-(4-tert-butylphenyl)-1,2,4-triazole is C27H27N3S.
What is the molecular weight of 3-cinnamylsulfanyl-4-phenyl-5-(4-tert-butylphenyl)-1,2,4-triazole?
The molecular weight of 3-cinnamylsulfanyl-4-phenyl-5-(4-tert-butylphenyl)-1,2,4-triazole is 425.19 g/mol.
Where can I buy 3-cinnamylsulfanyl-4-phenyl-5-(4-tert-butylphenyl)-1,2,4-triazole?
You can request a quote for 3-cinnamylsulfanyl-4-phenyl-5-(4-tert-butylphenyl)-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-cinnamylsulfanyl-4-phenyl-5-(4-tert-butylphenyl)-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-cinnamylsulfanyl-4-phenyl-5-(4-tert-butylphenyl)-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.