![N-(4-{5-[(4-tert-butylbenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide structure](/static/products/6927/692775-90-9.webp)
N-(4-{5-[(4-tert-butylbenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide
TL;DR: N-(4-{5-[(4-tert-butylbenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide (CAS 692775-90-9) is a chemical compound with molecular formula C22H26N4OS and molecular weight 394.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide
Also Known As: N-(4-{5-[(4-tert-butylbenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide, N-[4-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide
| Molecular Formula | C22H26N4OS |
|---|---|
| Molecular Weight | 394.18 g/mol |
| LogP | 5.0303 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.18274 |
| Heavy Atoms | 28 |
| Complexity | 953.69696 |
Chemical Identifiers
| CAS Number | 692775-90-9 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC=C(C=C3)C(C)(C)C |
Product Overview
N-(4-{5-[(4-tert-butylbenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide (CAS 692775-90-9), with molecular formula C22H26N4OS and molecular weight 394.18 g/mol. IUPAC: N-[4-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide.
Chemical Property Profile of N-(4-{5-[(4-tert-butylbenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide
Property Insights of N-(4-{5-[(4-tert-butylbenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide
The XLogP value of 5.0303 indicates that N-(4-{5-[(4-tert-butylbenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, N-(4-{5-[(4-tert-butylbenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-{5-[(4-tert-butylbenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide has 1 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 N-(4-{5-[(4-tert-butylbenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide?
The CAS number of N-(4-{5-[(4-tert-butylbenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide is 692775-90-9.
What is the molecular formula of N-(4-{5-[(4-tert-butylbenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide?
The molecular formula of N-(4-{5-[(4-tert-butylbenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide is C22H26N4OS.
What is the molecular weight of N-(4-{5-[(4-tert-butylbenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide?
The molecular weight of N-(4-{5-[(4-tert-butylbenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide is 394.18 g/mol.
Where can I buy N-(4-{5-[(4-tert-butylbenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide?
You can request a quote for N-(4-{5-[(4-tert-butylbenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-{5-[(4-tert-butylbenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-{5-[(4-tert-butylbenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.