(E)-1-(4-ethylphenyl)-3-(2-methyl-5-nitroanilino)prop-2-en-1-one
TL;DR: (E)-1-(4-ethylphenyl)-3-(2-methyl-5-nitroanilino)prop-2-en-1-one (CAS 401832-03-9) is a chemical compound with molecular formula C18H18N2O3 and molecular weight 310.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(4-ethylphenyl)-3-(2-methyl-5-nitroanilino)prop-2-en-1-one
Also Known As: 1-(4-ethylphenyl)-3-{5-nitro-2-methylanilino}-2-propen-1-one
| Molecular Formula | C18H18N2O3 |
|---|---|
| Molecular Weight | 310.13 g/mol |
| LogP | 4.27412 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.13174 |
| Heavy Atoms | 23 |
| Complexity | 749.36206 |
Chemical Identifiers
| CAS Number | 401832-03-9 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C(=O)/C=C/NC2=C(C=CC(=C2)[N+](=O)[O-])C |
Product Overview
(E)-1-(4-ethylphenyl)-3-(2-methyl-5-nitroanilino)prop-2-en-1-one (CAS 401832-03-9), with molecular formula C18H18N2O3 and molecular weight 310.13 g/mol. IUPAC: (E)-1-(4-ethylphenyl)-3-(2-methyl-5-nitroanilino)prop-2-en-1-one.
Chemical Property Profile of (E)-1-(4-ethylphenyl)-3-(2-methyl-5-nitroanilino)prop-2-en-1-one
Property Insights of (E)-1-(4-ethylphenyl)-3-(2-methyl-5-nitroanilino)prop-2-en-1-one
The XLogP value of 4.27412 indicates that (E)-1-(4-ethylphenyl)-3-(2-methyl-5-nitroanilino)prop-2-en-1-one 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 (E)-1-(4-ethylphenyl)-3-(2-methyl-5-nitroanilino)prop-2-en-1-one. Following Lipinski's Rule of Five, (E)-1-(4-ethylphenyl)-3-(2-methyl-5-nitroanilino)prop-2-en-1-one 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 (E)-1-(4-ethylphenyl)-3-(2-methyl-5-nitroanilino)prop-2-en-1-one?
The CAS number of (E)-1-(4-ethylphenyl)-3-(2-methyl-5-nitroanilino)prop-2-en-1-one is 401832-03-9.
What is the molecular formula of (E)-1-(4-ethylphenyl)-3-(2-methyl-5-nitroanilino)prop-2-en-1-one?
The molecular formula of (E)-1-(4-ethylphenyl)-3-(2-methyl-5-nitroanilino)prop-2-en-1-one is C18H18N2O3.
What is the molecular weight of (E)-1-(4-ethylphenyl)-3-(2-methyl-5-nitroanilino)prop-2-en-1-one?
The molecular weight of (E)-1-(4-ethylphenyl)-3-(2-methyl-5-nitroanilino)prop-2-en-1-one is 310.13 g/mol.
Where can I buy (E)-1-(4-ethylphenyl)-3-(2-methyl-5-nitroanilino)prop-2-en-1-one?
You can request a quote for (E)-1-(4-ethylphenyl)-3-(2-methyl-5-nitroanilino)prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(4-ethylphenyl)-3-(2-methyl-5-nitroanilino)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(4-ethylphenyl)-3-(2-methyl-5-nitroanilino)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.