![2-fluoro-N-[[5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide structure](/static/products/7142/714208-13-6.webp)
2-fluoro-N-[[5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide
TL;DR: 2-fluoro-N-[[5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide (CAS 714208-13-6) is a chemical compound with molecular formula C27H22FN5O2S2 and molecular weight 531.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-N-[[5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: 2-fluoro-N-[[5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide, 2-fluoro-N-{[5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
| Molecular Formula | C27H22FN5O2S2 |
|---|---|
| Molecular Weight | 531.12 g/mol |
| LogP | 5.4548 |
| Topological Polar Surface Area | 80.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 531.1199 |
| Heavy Atoms | 37 |
| Complexity | 1443.6653 |
Chemical Identifiers
| CAS Number | 714208-13-6 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)CNC(=O)C5=CC=CC=C5F |
Product Overview
2-fluoro-N-[[5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide (CAS 714208-13-6), with molecular formula C27H22FN5O2S2 and molecular weight 531.12 g/mol. IUPAC: 2-fluoro-N-[[5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of 2-fluoro-N-[[5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide
Property Insights of 2-fluoro-N-[[5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide
The XLogP value of 5.4548 indicates that 2-fluoro-N-[[5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-fluoro-N-[[5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide. Following Lipinski's Rule of Five, 2-fluoro-N-[[5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-fluoro-N-[[5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide?
The CAS number of 2-fluoro-N-[[5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide is 714208-13-6.
What is the molecular formula of 2-fluoro-N-[[5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide?
The molecular formula of 2-fluoro-N-[[5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide is C27H22FN5O2S2.
What is the molecular weight of 2-fluoro-N-[[5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide?
The molecular weight of 2-fluoro-N-[[5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide is 531.12 g/mol.
Where can I buy 2-fluoro-N-[[5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide?
You can request a quote for 2-fluoro-N-[[5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-fluoro-N-[[5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-fluoro-N-[[5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.