![3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole structure](/static/products/4991/499103-28-5.webp)
3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole
TL;DR: 3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole (CAS 499103-28-5) is a chemical compound with molecular formula C30H35N3OS and molecular weight 485.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-5-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole
Also Known As: 3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole, 3-((4-(tert-butyl)benzyl)thio)-5-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole, 1-(5-[4-(tert-butyl)phenyl]-3-{[4-(tert-butyl)phenyl]methylthio}(1,2,4-triazol -4-yl))-4-methoxybenzene, 3-(4-tert-butylphenyl)-5-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole, 3-(4-tert-butylphenyl)-5-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazole
| Molecular Formula | C30H35N3OS |
|---|---|
| Molecular Weight | 485.25 g/mol |
| LogP | 7.8302 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.2501 |
| Heavy Atoms | 35 |
| Complexity | 1259.924 |
Chemical Identifiers
| CAS Number | 499103-28-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C(C)(C)C |
Product Overview
3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole (CAS 499103-28-5), with molecular formula C30H35N3OS and molecular weight 485.25 g/mol. IUPAC: 3-(4-tert-butylphenyl)-5-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole.
Chemical Property Profile of 3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole
Property Insights of 3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole
The XLogP value of 7.8302 indicates that 3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-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-butylbenzyl)sulfanyl]-5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-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-butylbenzyl)sulfanyl]-5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole?
The CAS number of 3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole is 499103-28-5.
What is the molecular formula of 3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole?
The molecular formula of 3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole is C30H35N3OS.
What is the molecular weight of 3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole?
The molecular weight of 3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole is 485.25 g/mol.
Where can I buy 3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole?
You can request a quote for 3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-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-butylbenzyl)sulfanyl]-5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.