![N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-3-methyl-benzamide structure](/static/products/7082/708247-76-1.webp)
N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-3-methyl-benzamide
TL;DR: N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-3-methyl-benzamide (CAS 708247-76-1) is a chemical compound with molecular formula C14H16N4OS and molecular weight 288.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide
Also Known As: BAS 08856351, BB 0217458, N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-3-methyl-benzamide, 3-methyl-N-{[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}benzamide, N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylm ethyl)-3-methyl-benzamide
| Molecular Formula | C14H16N4OS |
|---|---|
| Molecular Weight | 288.10 g/mol |
| LogP | 2.36511 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.1045 |
| Heavy Atoms | 20 |
| Complexity | 686.4775 |
Chemical Identifiers
| CAS Number | 708247-76-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NCC2=NNC(=S)N2CC=C |
Product Overview
N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-3-methyl-benzamide (CAS 708247-76-1), with molecular formula C14H16N4OS and molecular weight 288.10 g/mol. IUPAC: 3-methyl-N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide.
Chemical Property Profile of N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-3-methyl-benzamide
Property Insights of N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-3-methyl-benzamide
The XLogP value of 2.36511 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-3-methyl-benzamide. The TPSA of 62.71 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-3-methyl-benzamide. Following Lipinski's Rule of Five, N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-3-methyl-benzamide has 2 hydrogen bond donor(s) and 3 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-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-3-methyl-benzamide?
The CAS number of N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-3-methyl-benzamide is 708247-76-1.
What is the molecular formula of N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-3-methyl-benzamide?
The molecular formula of N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-3-methyl-benzamide is C14H16N4OS.
What is the molecular weight of N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-3-methyl-benzamide?
The molecular weight of N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-3-methyl-benzamide is 288.10 g/mol.
Where can I buy N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-3-methyl-benzamide?
You can request a quote for N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-3-methyl-benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-3-methyl-benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-3-methyl-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.