3-(4-(Methylthio)phenyl)-N-(3-nitrophenyl)-2-propenamide
TL;DR: 3-(4-(Methylthio)phenyl)-N-(3-nitrophenyl)-2-propenamide (CAS 478258-14-9) is a chemical compound with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylsulfanylphenyl)-N-(3-nitrophenyl)prop-2-enamide
Also Known As: 3-[4-(Methylthio)phenyl]-N-(3-nitrophenyl)-2-propenamide, 3-(4-methylsulfanylphenyl)-N-(3-nitrophenyl)prop-2-enamide, (E)-3-[4-(methylsulfanyl)phenyl]-N-(3-nitrophenyl)-2-propenamide, 3-(4-(Methylthio)phenyl)-N-(3-nitrophenyl)-2-propenamide, 3-[4-(Methylsulfanyl)phenyl]-N-(3-nitrophenyl)prop-2-enamide
| Molecular Formula | C16H14N2O3S |
|---|---|
| Molecular Weight | 314.07 g/mol |
| LogP | 3.9686 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.0725 |
| Heavy Atoms | 22 |
| Complexity | 711.5858 |
Chemical Identifiers
| CAS Number | 478258-14-9 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C=CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
3-(4-(Methylthio)phenyl)-N-(3-nitrophenyl)-2-propenamide (CAS 478258-14-9), with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol. IUPAC: 3-(4-methylsulfanylphenyl)-N-(3-nitrophenyl)prop-2-enamide.
Chemical Property Profile of 3-(4-(Methylthio)phenyl)-N-(3-nitrophenyl)-2-propenamide
Property Insights of 3-(4-(Methylthio)phenyl)-N-(3-nitrophenyl)-2-propenamide
The XLogP value of 3.9686 indicates that 3-(4-(Methylthio)phenyl)-N-(3-nitrophenyl)-2-propenamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-(Methylthio)phenyl)-N-(3-nitrophenyl)-2-propenamide. Following Lipinski's Rule of Five, 3-(4-(Methylthio)phenyl)-N-(3-nitrophenyl)-2-propenamide 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 3-(4-(Methylthio)phenyl)-N-(3-nitrophenyl)-2-propenamide?
The CAS number of 3-(4-(Methylthio)phenyl)-N-(3-nitrophenyl)-2-propenamide is 478258-14-9.
What is the molecular formula of 3-(4-(Methylthio)phenyl)-N-(3-nitrophenyl)-2-propenamide?
The molecular formula of 3-(4-(Methylthio)phenyl)-N-(3-nitrophenyl)-2-propenamide is C16H14N2O3S.
What is the molecular weight of 3-(4-(Methylthio)phenyl)-N-(3-nitrophenyl)-2-propenamide?
The molecular weight of 3-(4-(Methylthio)phenyl)-N-(3-nitrophenyl)-2-propenamide is 314.07 g/mol.
Where can I buy 3-(4-(Methylthio)phenyl)-N-(3-nitrophenyl)-2-propenamide?
You can request a quote for 3-(4-(Methylthio)phenyl)-N-(3-nitrophenyl)-2-propenamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-(Methylthio)phenyl)-N-(3-nitrophenyl)-2-propenamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(Methylthio)phenyl)-N-(3-nitrophenyl)-2-propenamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.