4,4'-diallyl-5,5'-bis(cinnamylthio)-4H,4'H-3,3'-bi(1,2,4-triazole)
TL;DR: 4,4'-diallyl-5,5'-bis(cinnamylthio)-4H,4'H-3,3'-bi(1,2,4-triazole) (CAS 452089-39-3) is a chemical compound with molecular formula C28H28N6S2 and molecular weight 512.18 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-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-4-prop-2-enyl-1,2,4-triazole
Also Known As: 4,4'-diallyl-5,5'-bis(cinnamylthio)-4H,4'H-3,3'-bi(1,2,4-triazole), F1044-0063, 3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-5-(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole, 3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-4-prop-2-enyl-1,2,4-triazole, 5,5'-bis{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4,4'-di(prop-2-en-1-yl)-4H,4'H-3,3'-bi-1,2,4-triazole
| Molecular Formula | C28H28N6S2 |
|---|---|
| Molecular Weight | 512.18 g/mol |
| LogP | 6.5196 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 512.1817 |
| Heavy Atoms | 36 |
| Complexity | 1219.0961 |
Chemical Identifiers
| CAS Number | 452089-39-3 |
|---|---|
| SMILES | C=CCN1C(=NN=C1C2=NN=C(N2CC=C)SC/C=C/C3=CC=CC=C3)SC/C=C/C4=CC=CC=C4 |
Product Overview
4,4'-diallyl-5,5'-bis(cinnamylthio)-4H,4'H-3,3'-bi(1,2,4-triazole) (CAS 452089-39-3), with molecular formula C28H28N6S2 and molecular weight 512.18 g/mol. IUPAC: 3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-4-prop-2-enyl-1,2,4-triazole.
Chemical Property Profile of 4,4'-diallyl-5,5'-bis(cinnamylthio)-4H,4'H-3,3'-bi(1,2,4-triazole)
Property Insights of 4,4'-diallyl-5,5'-bis(cinnamylthio)-4H,4'H-3,3'-bi(1,2,4-triazole)
The XLogP value of 6.5196 indicates that 4,4'-diallyl-5,5'-bis(cinnamylthio)-4H,4'H-3,3'-bi(1,2,4-triazole) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-diallyl-5,5'-bis(cinnamylthio)-4H,4'H-3,3'-bi(1,2,4-triazole). Following Lipinski's Rule of Five, 4,4'-diallyl-5,5'-bis(cinnamylthio)-4H,4'H-3,3'-bi(1,2,4-triazole) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,4'-diallyl-5,5'-bis(cinnamylthio)-4H,4'H-3,3'-bi(1,2,4-triazole)?
The CAS number of 4,4'-diallyl-5,5'-bis(cinnamylthio)-4H,4'H-3,3'-bi(1,2,4-triazole) is 452089-39-3.
What is the molecular formula of 4,4'-diallyl-5,5'-bis(cinnamylthio)-4H,4'H-3,3'-bi(1,2,4-triazole)?
The molecular formula of 4,4'-diallyl-5,5'-bis(cinnamylthio)-4H,4'H-3,3'-bi(1,2,4-triazole) is C28H28N6S2.
What is the molecular weight of 4,4'-diallyl-5,5'-bis(cinnamylthio)-4H,4'H-3,3'-bi(1,2,4-triazole)?
The molecular weight of 4,4'-diallyl-5,5'-bis(cinnamylthio)-4H,4'H-3,3'-bi(1,2,4-triazole) is 512.18 g/mol.
Where can I buy 4,4'-diallyl-5,5'-bis(cinnamylthio)-4H,4'H-3,3'-bi(1,2,4-triazole)?
You can request a quote for 4,4'-diallyl-5,5'-bis(cinnamylthio)-4H,4'H-3,3'-bi(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 4,4'-diallyl-5,5'-bis(cinnamylthio)-4H,4'H-3,3'-bi(1,2,4-triazole)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-diallyl-5,5'-bis(cinnamylthio)-4H,4'H-3,3'-bi(1,2,4-triazole) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.