![N-{[5-(allylsulfanyl)-4-isopropyl-4H-1,2,4-triazol-3-yl]methyl}-2-methylbenzenecarboxamide structure](/static/products/4000/400085-68-9.webp)
N-{[5-(allylsulfanyl)-4-isopropyl-4H-1,2,4-triazol-3-yl]methyl}-2-methylbenzenecarboxamide
TL;DR: N-{[5-(allylsulfanyl)-4-isopropyl-4H-1,2,4-triazol-3-yl]methyl}-2-methylbenzenecarboxamide (CAS 400085-68-9) is a chemical compound with molecular formula C17H22N4OS and molecular weight 330.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-[(4-propan-2-yl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)methyl]benzamide
Also Known As: N-{[5-(allylsulfanyl)-4-isopropyl-4H-1,2,4-triazol-3-yl]methyl}-2-methylbenzenecarboxamide, 2-methyl-N-[(4-propan-2-yl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)methyl]benzamide, 2-methyl-N-{[5-(prop-2-en-1-ylsulfanyl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
| Molecular Formula | C17H22N4OS |
|---|---|
| Molecular Weight | 330.15 g/mol |
| LogP | 3.37552 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 330.15143 |
| Heavy Atoms | 23 |
| Complexity | 693.65186 |
Chemical Identifiers
| CAS Number | 400085-68-9 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NCC2=NN=C(N2C(C)C)SCC=C |
Product Overview
N-{[5-(allylsulfanyl)-4-isopropyl-4H-1,2,4-triazol-3-yl]methyl}-2-methylbenzenecarboxamide (CAS 400085-68-9), with molecular formula C17H22N4OS and molecular weight 330.15 g/mol. IUPAC: 2-methyl-N-[(4-propan-2-yl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)methyl]benzamide.
Chemical Property Profile of N-{[5-(allylsulfanyl)-4-isopropyl-4H-1,2,4-triazol-3-yl]methyl}-2-methylbenzenecarboxamide
Property Insights of N-{[5-(allylsulfanyl)-4-isopropyl-4H-1,2,4-triazol-3-yl]methyl}-2-methylbenzenecarboxamide
The XLogP value of 3.37552 indicates that N-{[5-(allylsulfanyl)-4-isopropyl-4H-1,2,4-triazol-3-yl]methyl}-2-methylbenzenecarboxamide 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-isopropyl-4H-1,2,4-triazol-3-yl]methyl}-2-methylbenzenecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-{[5-(allylsulfanyl)-4-isopropyl-4H-1,2,4-triazol-3-yl]methyl}-2-methylbenzenecarboxamide 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-isopropyl-4H-1,2,4-triazol-3-yl]methyl}-2-methylbenzenecarboxamide?
The CAS number of N-{[5-(allylsulfanyl)-4-isopropyl-4H-1,2,4-triazol-3-yl]methyl}-2-methylbenzenecarboxamide is 400085-68-9.
What is the molecular formula of N-{[5-(allylsulfanyl)-4-isopropyl-4H-1,2,4-triazol-3-yl]methyl}-2-methylbenzenecarboxamide?
The molecular formula of N-{[5-(allylsulfanyl)-4-isopropyl-4H-1,2,4-triazol-3-yl]methyl}-2-methylbenzenecarboxamide is C17H22N4OS.
What is the molecular weight of N-{[5-(allylsulfanyl)-4-isopropyl-4H-1,2,4-triazol-3-yl]methyl}-2-methylbenzenecarboxamide?
The molecular weight of N-{[5-(allylsulfanyl)-4-isopropyl-4H-1,2,4-triazol-3-yl]methyl}-2-methylbenzenecarboxamide is 330.15 g/mol.
Where can I buy N-{[5-(allylsulfanyl)-4-isopropyl-4H-1,2,4-triazol-3-yl]methyl}-2-methylbenzenecarboxamide?
You can request a quote for N-{[5-(allylsulfanyl)-4-isopropyl-4H-1,2,4-triazol-3-yl]methyl}-2-methylbenzenecarboxamide 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-isopropyl-4H-1,2,4-triazol-3-yl]methyl}-2-methylbenzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[5-(allylsulfanyl)-4-isopropyl-4H-1,2,4-triazol-3-yl]methyl}-2-methylbenzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.