1-(4-Methoxyphenyl)-3-(3-nitroanilino)-1-propanone
TL;DR: 1-(4-Methoxyphenyl)-3-(3-nitroanilino)-1-propanone (CAS 477333-85-0) is a chemical compound with molecular formula C16H16N2O4 and molecular weight 300.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-3-(3-nitroanilino)propan-1-one
Also Known As: 1-(4-methoxyphenyl)-3-(3-nitroanilino)-1-propanone, 1-(4-Methoxyphenyl)-3-((3-nitrophenyl)amino)propan-1-one, 1-(4-methoxyphenyl)-3-(3-nitroanilino)propan-1-one, 1-(4-methoxyphenyl)-3-[(3-nitrophenyl)amino]propan-1-one, 651-031-7
| Molecular Formula | C16H16N2O4 |
|---|---|
| Molecular Weight | 300.11 g/mol |
| LogP | 3.2883 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 300.111 |
| Heavy Atoms | 22 |
| Complexity | 668.10095 |
Chemical Identifiers
| CAS Number | 477333-85-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CCNC2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
1-(4-Methoxyphenyl)-3-(3-nitroanilino)-1-propanone (CAS 477333-85-0), with molecular formula C16H16N2O4 and molecular weight 300.11 g/mol. IUPAC: 1-(4-methoxyphenyl)-3-(3-nitroanilino)propan-1-one.
Chemical Property Profile of 1-(4-Methoxyphenyl)-3-(3-nitroanilino)-1-propanone
Property Insights of 1-(4-Methoxyphenyl)-3-(3-nitroanilino)-1-propanone
The XLogP value of 3.2883 indicates that 1-(4-Methoxyphenyl)-3-(3-nitroanilino)-1-propanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methoxyphenyl)-3-(3-nitroanilino)-1-propanone. Following Lipinski's Rule of Five, 1-(4-Methoxyphenyl)-3-(3-nitroanilino)-1-propanone has 1 hydrogen bond donor(s) and 5 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-Methoxyphenyl)-3-(3-nitroanilino)-1-propanone?
The CAS number of 1-(4-Methoxyphenyl)-3-(3-nitroanilino)-1-propanone is 477333-85-0.
What is the molecular formula of 1-(4-Methoxyphenyl)-3-(3-nitroanilino)-1-propanone?
The molecular formula of 1-(4-Methoxyphenyl)-3-(3-nitroanilino)-1-propanone is C16H16N2O4.
What is the molecular weight of 1-(4-Methoxyphenyl)-3-(3-nitroanilino)-1-propanone?
The molecular weight of 1-(4-Methoxyphenyl)-3-(3-nitroanilino)-1-propanone is 300.11 g/mol.
Where can I buy 1-(4-Methoxyphenyl)-3-(3-nitroanilino)-1-propanone?
You can request a quote for 1-(4-Methoxyphenyl)-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-Methoxyphenyl)-3-(3-nitroanilino)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methoxyphenyl)-3-(3-nitroanilino)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.