![N-{[5-(Benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide structure](/static/products/5977/5977-74-2.webp)
N-{[5-(Benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide
TL;DR: N-{[5-(Benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide (CAS 5977-74-2) is a chemical compound with molecular formula C26H34N4OS and molecular weight 450.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-benzylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3,5,5-trimethylhexanamide
Also Known As: N-{[5-(Benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide, N-[[5-benzylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3,5,5-trimethyl-hexanamide, N-[[5-benzylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3,5,5-trimethylhexanamide
| Molecular Formula | C26H34N4OS |
|---|---|
| Molecular Weight | 450.25 g/mol |
| LogP | 5.94662 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 450.24533 |
| Heavy Atoms | 32 |
| Complexity | 1006.5562 |
Chemical Identifiers
| CAS Number | 5977-74-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)CNC(=O)CC(C)CC(C)(C)C |
Product Overview
N-{[5-(Benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide (CAS 5977-74-2), with molecular formula C26H34N4OS and molecular weight 450.25 g/mol. IUPAC: N-[[5-benzylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3,5,5-trimethylhexanamide.
Chemical Property Profile of N-{[5-(Benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide
Property Insights of N-{[5-(Benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide
The XLogP value of 5.94662 indicates that N-{[5-(Benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide 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-{[5-(Benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-{[5-(Benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide 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-{[5-(Benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide?
The CAS number of N-{[5-(Benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide is 5977-74-2.
What is the molecular formula of N-{[5-(Benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide?
The molecular formula of N-{[5-(Benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide is C26H34N4OS.
What is the molecular weight of N-{[5-(Benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide?
The molecular weight of N-{[5-(Benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide is 450.25 g/mol.
Where can I buy N-{[5-(Benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide?
You can request a quote for N-{[5-(Benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{[5-(Benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[5-(Benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.