![3-(4-fluorophenyl)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]prop-2-enamide structure](/static/products/6978/6978-68-3.webp)
3-(4-fluorophenyl)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]prop-2-enamide
TL;DR: 3-(4-fluorophenyl)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]prop-2-enamide (CAS 6978-68-3) is a chemical compound with molecular formula C17H14FN3O3S and molecular weight 359.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]prop-2-enamide
Also Known As: 3-(4-fluorophenyl)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]prop-2-enamide, 3-(4-fluorophenyl)-N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]prop-2-enamide
| Molecular Formula | C17H14FN3O3S |
|---|---|
| Molecular Weight | 359.07 g/mol |
| LogP | 3.56872 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.074 |
| Heavy Atoms | 25 |
| Complexity | 850.7166 |
Chemical Identifiers
| CAS Number | 6978-68-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C=CC2=CC=C(C=C2)F |
Product Overview
3-(4-fluorophenyl)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]prop-2-enamide (CAS 6978-68-3), with molecular formula C17H14FN3O3S and molecular weight 359.07 g/mol. IUPAC: 3-(4-fluorophenyl)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]prop-2-enamide.
Chemical Property Profile of 3-(4-fluorophenyl)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]prop-2-enamide
Property Insights of 3-(4-fluorophenyl)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]prop-2-enamide
The XLogP value of 3.56872 indicates that 3-(4-fluorophenyl)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-fluorophenyl)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]prop-2-enamide. Following Lipinski's Rule of Five, 3-(4-fluorophenyl)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]prop-2-enamide has 2 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 3-(4-fluorophenyl)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]prop-2-enamide?
The CAS number of 3-(4-fluorophenyl)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]prop-2-enamide is 6978-68-3.
What is the molecular formula of 3-(4-fluorophenyl)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]prop-2-enamide?
The molecular formula of 3-(4-fluorophenyl)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]prop-2-enamide is C17H14FN3O3S.
What is the molecular weight of 3-(4-fluorophenyl)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]prop-2-enamide?
The molecular weight of 3-(4-fluorophenyl)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]prop-2-enamide is 359.07 g/mol.
Where can I buy 3-(4-fluorophenyl)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]prop-2-enamide?
You can request a quote for 3-(4-fluorophenyl)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-fluorophenyl)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-fluorophenyl)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.