![N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-2-fluoro-benzamide structure](/static/products/7089/708990-69-6.webp)
N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-2-fluoro-benzamide
TL;DR: N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-2-fluoro-benzamide (CAS 708990-69-6) is a chemical compound with molecular formula C13H13FN4OS and molecular weight 292.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide
Also Known As: BAS 08867128, BB 0217382, N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-2-fluoro-benzamide, 2-fluoro-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)-2-fluoro-benzamide
| Molecular Formula | C13H13FN4OS |
|---|---|
| Molecular Weight | 292.08 g/mol |
| LogP | 2.19579 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.0794 |
| Heavy Atoms | 20 |
| Complexity | 691.67474 |
Chemical Identifiers
| CAS Number | 708990-69-6 |
|---|---|
| SMILES | C=CCN1C(=NNC1=S)CNC(=O)C2=CC=CC=C2F |
Product Overview
N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-2-fluoro-benzamide (CAS 708990-69-6), with molecular formula C13H13FN4OS and molecular weight 292.08 g/mol. IUPAC: 2-fluoro-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)-2-fluoro-benzamide
Property Insights of N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-2-fluoro-benzamide
The XLogP value of 2.19579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-2-fluoro-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)-2-fluoro-benzamide. Following Lipinski's Rule of Five, N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-2-fluoro-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)-2-fluoro-benzamide?
The CAS number of N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-2-fluoro-benzamide is 708990-69-6.
What is the molecular formula of N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-2-fluoro-benzamide?
The molecular formula of N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-2-fluoro-benzamide is C13H13FN4OS.
What is the molecular weight of N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-2-fluoro-benzamide?
The molecular weight of N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-2-fluoro-benzamide is 292.08 g/mol.
Where can I buy N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-2-fluoro-benzamide?
You can request a quote for N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-2-fluoro-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)-2-fluoro-benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-2-fluoro-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.