![N-{[5-{[(3-Methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide structure](/static/products/5893/5893-24-3.webp)
N-{[5-{[(3-Methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide
TL;DR: N-{[5-{[(3-Methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide (CAS 5893-24-3) is a chemical compound with molecular formula C26H33N5O4S and molecular weight 511.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-3,5,5-trimethylhexanamide
Also Known As: N-{[5-{[(3-Methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide, N-[[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-3,5,5-trimethylhexanamide
| Molecular Formula | C26H33N5O4S |
|---|---|
| Molecular Weight | 511.23 g/mol |
| LogP | 5.555 |
| Topological Polar Surface Area | 112.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 511.2253 |
| Heavy Atoms | 36 |
| Complexity | 1187.7904 |
Chemical Identifiers
| CAS Number | 5893-24-3 |
|---|---|
| SMILES | CC(CC(=O)NCC1=NN=C(N1C2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC(=CC=C3)OC)CC(C)(C)C |
Product Overview
N-{[5-{[(3-Methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide (CAS 5893-24-3), with molecular formula C26H33N5O4S and molecular weight 511.23 g/mol. IUPAC: N-[[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-3,5,5-trimethylhexanamide.
Chemical Property Profile of N-{[5-{[(3-Methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide
Property Insights of N-{[5-{[(3-Methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide
The XLogP value of 5.555 indicates that N-{[5-{[(3-Methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-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. The TPSA of 112.18 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[5-{[(3-Methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide. Following Lipinski's Rule of Five, N-{[5-{[(3-Methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide has 1 hydrogen bond donor(s) and 7 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-{[(3-Methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide?
The CAS number of N-{[5-{[(3-Methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide is 5893-24-3.
What is the molecular formula of N-{[5-{[(3-Methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide?
The molecular formula of N-{[5-{[(3-Methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide is C26H33N5O4S.
What is the molecular weight of N-{[5-{[(3-Methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide?
The molecular weight of N-{[5-{[(3-Methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide is 511.23 g/mol.
Where can I buy N-{[5-{[(3-Methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide?
You can request a quote for N-{[5-{[(3-Methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-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-{[(3-Methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[5-{[(3-Methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-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.