1-(4-Methylphenyl)-3-(3-nitroanilino)-1-propanone
TL;DR: 1-(4-Methylphenyl)-3-(3-nitroanilino)-1-propanone (CAS 477334-08-0) is a chemical compound with molecular formula C16H16N2O3 and molecular weight 284.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-3-(3-nitroanilino)propan-1-one
Also Known As: 1-(4-methylphenyl)-3-(3-nitroanilino)-1-propanone, 1-(4-methylphenyl)-3-(3-nitroanilino)propan-1-one, 3-((3-Nitrophenyl)amino)-1-(p-tolyl)propan-1-one, 1-(4-methylphenyl)-3-[(3-nitrophenyl)amino]propan-1-one, 651-058-4
| Molecular Formula | C16H16N2O3 |
|---|---|
| Molecular Weight | 284.12 g/mol |
| LogP | 3.58812 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.1161 |
| Heavy Atoms | 21 |
| Complexity | 650.8266 |
Chemical Identifiers
| CAS Number | 477334-08-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CCNC2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
1-(4-Methylphenyl)-3-(3-nitroanilino)-1-propanone (CAS 477334-08-0), with molecular formula C16H16N2O3 and molecular weight 284.12 g/mol. IUPAC: 1-(4-methylphenyl)-3-(3-nitroanilino)propan-1-one.
Chemical Property Profile of 1-(4-Methylphenyl)-3-(3-nitroanilino)-1-propanone
Property Insights of 1-(4-Methylphenyl)-3-(3-nitroanilino)-1-propanone
The XLogP value of 3.58812 indicates that 1-(4-Methylphenyl)-3-(3-nitroanilino)-1-propanone 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 1-(4-Methylphenyl)-3-(3-nitroanilino)-1-propanone. Following Lipinski's Rule of Five, 1-(4-Methylphenyl)-3-(3-nitroanilino)-1-propanone 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 1-(4-Methylphenyl)-3-(3-nitroanilino)-1-propanone?
The CAS number of 1-(4-Methylphenyl)-3-(3-nitroanilino)-1-propanone is 477334-08-0.
What is the molecular formula of 1-(4-Methylphenyl)-3-(3-nitroanilino)-1-propanone?
The molecular formula of 1-(4-Methylphenyl)-3-(3-nitroanilino)-1-propanone is C16H16N2O3.
What is the molecular weight of 1-(4-Methylphenyl)-3-(3-nitroanilino)-1-propanone?
The molecular weight of 1-(4-Methylphenyl)-3-(3-nitroanilino)-1-propanone is 284.12 g/mol.
Where can I buy 1-(4-Methylphenyl)-3-(3-nitroanilino)-1-propanone?
You can request a quote for 1-(4-Methylphenyl)-3-(3-nitroanilino)-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methylphenyl)-3-(3-nitroanilino)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylphenyl)-3-(3-nitroanilino)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.