3-(Cinnamylthio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine
TL;DR: 3-(Cinnamylthio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine (CAS 1164538-97-9) is a chemical compound with molecular formula C20H22N4O3S and molecular weight 398.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine
Also Known As: 3-(Cinnamylthio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine, 3-((E)-3-Phenyl-allylsulfanyl)-5-(3,4,5-trimethoxy-phenyl)-[1,2,4]triazol-4-ylamine, 3-((2E)-3-phenylprop-2-enylthio)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-4-y lamine, 3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine, 3-{[(2E)-3-phenyl-2-propenyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine
| Molecular Formula | C20H22N4O3S |
|---|---|
| Molecular Weight | 398.14 g/mol |
| LogP | 3.4902 |
| Topological Polar Surface Area | 84.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 398.14127 |
| Heavy Atoms | 28 |
| Complexity | 932.3347 |
Chemical Identifiers
| CAS Number | 1164538-97-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2N)SC/C=C/C3=CC=CC=C3 |
Product Overview
3-(Cinnamylthio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine (CAS 1164538-97-9), with molecular formula C20H22N4O3S and molecular weight 398.14 g/mol. IUPAC: 3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-(Cinnamylthio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine
Property Insights of 3-(Cinnamylthio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine
The XLogP value of 3.4902 indicates that 3-(Cinnamylthio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Cinnamylthio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-(Cinnamylthio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Cinnamylthio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine?
The CAS number of 3-(Cinnamylthio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine is 1164538-97-9.
What is the molecular formula of 3-(Cinnamylthio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-(Cinnamylthio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine is C20H22N4O3S.
What is the molecular weight of 3-(Cinnamylthio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-(Cinnamylthio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine is 398.14 g/mol.
Where can I buy 3-(Cinnamylthio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-(Cinnamylthio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Cinnamylthio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(Cinnamylthio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.