![N-{[5-(allylsulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-4-chlorobenzenecarboxamide structure](/static/products/4780/478049-26-2.webp)
N-{[5-(allylsulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-4-chlorobenzenecarboxamide
TL;DR: N-{[5-(allylsulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-4-chlorobenzenecarboxamide (CAS 478049-26-2) is a chemical compound with molecular formula C15H17ClN4OS and molecular weight 336.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[(4-ethyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)methyl]benzamide
Also Known As: N-{[5-(allylsulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-4-chlorobenzenecarboxamide, 4-chloro-N-[(4-ethyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)methyl]benzamide, 4-chloro-N-{[4-ethyl-5-(prop-2-en-1-ylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
| Molecular Formula | C15H17ClN4OS |
|---|---|
| Molecular Weight | 336.08 g/mol |
| LogP | 3.1595 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 336.08115 |
| Heavy Atoms | 22 |
| Complexity | 654.0621 |
Chemical Identifiers
| CAS Number | 478049-26-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC=C)CNC(=O)C2=CC=C(C=C2)Cl |
Product Overview
N-{[5-(allylsulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-4-chlorobenzenecarboxamide (CAS 478049-26-2), with molecular formula C15H17ClN4OS and molecular weight 336.08 g/mol. IUPAC: 4-chloro-N-[(4-ethyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)methyl]benzamide.
Chemical Property Profile of N-{[5-(allylsulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-4-chlorobenzenecarboxamide
Property Insights of N-{[5-(allylsulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-4-chlorobenzenecarboxamide
The XLogP value of 3.1595 indicates that N-{[5-(allylsulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-4-chlorobenzenecarboxamide 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-(allylsulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-4-chlorobenzenecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-{[5-(allylsulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-4-chlorobenzenecarboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-{[5-(allylsulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-4-chlorobenzenecarboxamide?
The CAS number of N-{[5-(allylsulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-4-chlorobenzenecarboxamide is 478049-26-2.
What is the molecular formula of N-{[5-(allylsulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-4-chlorobenzenecarboxamide?
The molecular formula of N-{[5-(allylsulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-4-chlorobenzenecarboxamide is C15H17ClN4OS.
What is the molecular weight of N-{[5-(allylsulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-4-chlorobenzenecarboxamide?
The molecular weight of N-{[5-(allylsulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-4-chlorobenzenecarboxamide is 336.08 g/mol.
Where can I buy N-{[5-(allylsulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-4-chlorobenzenecarboxamide?
You can request a quote for N-{[5-(allylsulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-4-chlorobenzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{[5-(allylsulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-4-chlorobenzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[5-(allylsulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-4-chlorobenzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.