(Z)-3-(2-methylanilino)-1-(4-nitrophenyl)prop-2-en-1-one
TL;DR: (Z)-3-(2-methylanilino)-1-(4-nitrophenyl)prop-2-en-1-one (CAS 6053-16-3) is a chemical compound with molecular formula C16H14N2O3 and molecular weight 282.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(2-methylanilino)-1-(4-nitrophenyl)prop-2-en-1-one
Also Known As: (Z)-3-(2-methylanilino)-1-(4-nitrophenyl)prop-2-en-1-one, BIM-0042890.P001, 3-[(2-methylphenyl)amino]-1-(4-nitrophenyl)-2-propen-1-one, (2Z)-3-(2-Methylanilino)-1-(4-nitrophenyl)prop-2-en-1-one
| Molecular Formula | C16H14N2O3 |
|---|---|
| Molecular Weight | 282.10 g/mol |
| LogP | 3.71172 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 282.10043 |
| Heavy Atoms | 21 |
| Complexity | 690.9232 |
Chemical Identifiers
| CAS Number | 6053-16-3 |
|---|---|
| SMILES | CC1=CC=CC=C1N/C=C\C(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
(Z)-3-(2-methylanilino)-1-(4-nitrophenyl)prop-2-en-1-one (CAS 6053-16-3), with molecular formula C16H14N2O3 and molecular weight 282.10 g/mol. IUPAC: (Z)-3-(2-methylanilino)-1-(4-nitrophenyl)prop-2-en-1-one.
Chemical Property Profile of (Z)-3-(2-methylanilino)-1-(4-nitrophenyl)prop-2-en-1-one
Property Insights of (Z)-3-(2-methylanilino)-1-(4-nitrophenyl)prop-2-en-1-one
The XLogP value of 3.71172 indicates that (Z)-3-(2-methylanilino)-1-(4-nitrophenyl)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 (Z)-3-(2-methylanilino)-1-(4-nitrophenyl)prop-2-en-1-one. Following Lipinski's Rule of Five, (Z)-3-(2-methylanilino)-1-(4-nitrophenyl)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 (Z)-3-(2-methylanilino)-1-(4-nitrophenyl)prop-2-en-1-one?
The CAS number of (Z)-3-(2-methylanilino)-1-(4-nitrophenyl)prop-2-en-1-one is 6053-16-3.
What is the molecular formula of (Z)-3-(2-methylanilino)-1-(4-nitrophenyl)prop-2-en-1-one?
The molecular formula of (Z)-3-(2-methylanilino)-1-(4-nitrophenyl)prop-2-en-1-one is C16H14N2O3.
What is the molecular weight of (Z)-3-(2-methylanilino)-1-(4-nitrophenyl)prop-2-en-1-one?
The molecular weight of (Z)-3-(2-methylanilino)-1-(4-nitrophenyl)prop-2-en-1-one is 282.10 g/mol.
Where can I buy (Z)-3-(2-methylanilino)-1-(4-nitrophenyl)prop-2-en-1-one?
You can request a quote for (Z)-3-(2-methylanilino)-1-(4-nitrophenyl)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 (Z)-3-(2-methylanilino)-1-(4-nitrophenyl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(2-methylanilino)-1-(4-nitrophenyl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.