![3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazole structure](/static/products/6132/613227-73-9.webp)
3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazole
TL;DR: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazole (CAS 613227-73-9) is a chemical compound with molecular formula C23H27N3OS and molecular weight 393.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazole
Also Known As: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazole, 3-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-5-((2-methylallyl)thio)-4H-1,2,4-triazole, 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazole, 1-{5-[4-(tert-butyl)phenyl]-3-(2-methylprop-2-enylthio)(1,2,4-triazol-4-yl)}-4 -methoxybenzene, 4-(3-(4-TERT-BU-PH)-5-((2-ME-2-PROPENYL)THIO)-4H-1,2,4-TRIAZOL-4-YL)PH ME ETHER
| Molecular Formula | C23H27N3OS |
|---|---|
| Molecular Weight | 393.19 g/mol |
| LogP | 5.9086 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.18747 |
| Heavy Atoms | 28 |
| Complexity | 951.0077 |
Chemical Identifiers
| CAS Number | 613227-73-9 |
|---|---|
| SMILES | CC(=C)CSC1=NN=C(N1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazole (CAS 613227-73-9), with molecular formula C23H27N3OS and molecular weight 393.19 g/mol. IUPAC: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazole.
Chemical Property Profile of 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazole
Property Insights of 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazole
The XLogP value of 5.9086 indicates that 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-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 39.94 Ų, 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazole has 0 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 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazole?
The CAS number of 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazole is 613227-73-9.
What is the molecular formula of 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazole?
The molecular formula of 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazole is C23H27N3OS.
What is the molecular weight of 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazole?
The molecular weight of 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazole is 393.19 g/mol.
Where can I buy 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazole?
You can request a quote for 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-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-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.