![N-(3-fluoro-4-methylphenyl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/849/849033-47-2.png)
N-(3-fluoro-4-methylphenyl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-(3-fluoro-4-methylphenyl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 849033-47-2) is a chemical compound with molecular formula C20H19FN4OS and molecular weight 382.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-fluoro-4-methylphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(3-fluoro-4-methylphenyl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide, N-(3-fluoro-4-methylphenyl)-2-(5-phenyl-4-prop-2-enyl(1,2,4-triazol-3-ylthio)) acetamide, N-(3-fluoro-4-methylphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C20H19FN4OS |
|---|---|
| Molecular Weight | 382.13 g/mol |
| LogP | 4.30942 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.12637 |
| Heavy Atoms | 27 |
| Complexity | 955.8705 |
Chemical Identifiers
| CAS Number | 849033-47-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3)F |
Product Overview
N-(3-fluoro-4-methylphenyl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 849033-47-2), with molecular formula C20H19FN4OS and molecular weight 382.13 g/mol. IUPAC: N-(3-fluoro-4-methylphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(3-fluoro-4-methylphenyl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-(3-fluoro-4-methylphenyl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 4.30942 indicates that N-(3-fluoro-4-methylphenyl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide 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-(3-fluoro-4-methylphenyl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-fluoro-4-methylphenyl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide 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-(3-fluoro-4-methylphenyl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-(3-fluoro-4-methylphenyl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 849033-47-2.
What is the molecular formula of N-(3-fluoro-4-methylphenyl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-(3-fluoro-4-methylphenyl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C20H19FN4OS.
What is the molecular weight of N-(3-fluoro-4-methylphenyl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-(3-fluoro-4-methylphenyl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 382.13 g/mol.
Where can I buy N-(3-fluoro-4-methylphenyl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-(3-fluoro-4-methylphenyl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-fluoro-4-methylphenyl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-fluoro-4-methylphenyl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.