1,4-bis((4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)butane
TL;DR: 1,4-bis((4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)butane (CAS 489462-46-6) is a chemical compound with molecular formula C38H40N6O6S2 and molecular weight 740.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-3-[4-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
Also Known As: 1,4-bis((4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)butane, F1161-0095, 4-phenyl-3-[(4-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butyl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole, 4-phenyl-3-[4-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole, 1,2,3-trimethoxy-5-(4-phenyl-5-{4-[4-phenyl-5-(3,4,5-trimethoxyphenyl)(1,2,4-t riazol-3-ylthio)]butylthio}(1,2,4-triazol-3-yl))benzene
| Molecular Formula | C38H40N6O6S2 |
|---|---|
| Molecular Weight | 740.25 g/mol |
| LogP | 7.8982 |
| Topological Polar Surface Area | 116.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 17 |
| Exact Mass | 740.24506 |
| Heavy Atoms | 52 |
| Complexity | 1891.8401 |
Chemical Identifiers
| CAS Number | 489462-46-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2C3=CC=CC=C3)SCCCCSC4=NN=C(N4C5=CC=CC=C5)C6=CC(=C(C(=C6)OC)OC)OC |
Product Overview
1,4-bis((4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)butane (CAS 489462-46-6), with molecular formula C38H40N6O6S2 and molecular weight 740.25 g/mol. IUPAC: 4-phenyl-3-[4-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole.
Chemical Property Profile of 1,4-bis((4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)butane
Property Insights of 1,4-bis((4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)butane
The XLogP value of 7.8982 indicates that 1,4-bis((4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)butane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-bis((4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)butane. Following Lipinski's Rule of Five, 1,4-bis((4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)butane has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-bis((4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)butane?
The CAS number of 1,4-bis((4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)butane is 489462-46-6.
What is the molecular formula of 1,4-bis((4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)butane?
The molecular formula of 1,4-bis((4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)butane is C38H40N6O6S2.
What is the molecular weight of 1,4-bis((4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)butane?
The molecular weight of 1,4-bis((4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)butane is 740.25 g/mol.
Where can I buy 1,4-bis((4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)butane?
You can request a quote for 1,4-bis((4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)butane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-bis((4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)butane?
Yes, KEHONG BIO provides custom synthesis services for 1,4-bis((4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)butane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.