3-(4-Isopropylanilino)-1-(3-nitrophenyl)-1-propanone
TL;DR: 3-(4-Isopropylanilino)-1-(3-nitrophenyl)-1-propanone (CAS 477334-27-3) is a chemical compound with molecular formula C18H20N2O3 and molecular weight 312.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-nitrophenyl)-3-(4-propan-2-ylanilino)propan-1-one
Also Known As: 3-(4-isopropylanilino)-1-(3-nitrophenyl)-1-propanone, 1-(3-nitrophenyl)-3-(4-propan-2-ylanilino)propan-1-one, 1-(3-nitrophenyl)-3-{[4-(propan-2-yl)phenyl]amino}propan-1-one, 1-(3-nitrophenyl)-3-[(4-propan-2-ylphenyl)amino]propan-1-one, 650-947-4
| Molecular Formula | C18H20N2O3 |
|---|---|
| Molecular Weight | 312.15 g/mol |
| LogP | 4.4031 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 312.1474 |
| Heavy Atoms | 23 |
| Complexity | 693.6678 |
Chemical Identifiers
| CAS Number | 477334-27-3 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)NCCC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
3-(4-Isopropylanilino)-1-(3-nitrophenyl)-1-propanone (CAS 477334-27-3), with molecular formula C18H20N2O3 and molecular weight 312.15 g/mol. IUPAC: 1-(3-nitrophenyl)-3-(4-propan-2-ylanilino)propan-1-one.
Chemical Property Profile of 3-(4-Isopropylanilino)-1-(3-nitrophenyl)-1-propanone
Property Insights of 3-(4-Isopropylanilino)-1-(3-nitrophenyl)-1-propanone
The XLogP value of 4.4031 indicates that 3-(4-Isopropylanilino)-1-(3-nitrophenyl)-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 3-(4-Isopropylanilino)-1-(3-nitrophenyl)-1-propanone. Following Lipinski's Rule of Five, 3-(4-Isopropylanilino)-1-(3-nitrophenyl)-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 3-(4-Isopropylanilino)-1-(3-nitrophenyl)-1-propanone?
The CAS number of 3-(4-Isopropylanilino)-1-(3-nitrophenyl)-1-propanone is 477334-27-3.
What is the molecular formula of 3-(4-Isopropylanilino)-1-(3-nitrophenyl)-1-propanone?
The molecular formula of 3-(4-Isopropylanilino)-1-(3-nitrophenyl)-1-propanone is C18H20N2O3.
What is the molecular weight of 3-(4-Isopropylanilino)-1-(3-nitrophenyl)-1-propanone?
The molecular weight of 3-(4-Isopropylanilino)-1-(3-nitrophenyl)-1-propanone is 312.15 g/mol.
Where can I buy 3-(4-Isopropylanilino)-1-(3-nitrophenyl)-1-propanone?
You can request a quote for 3-(4-Isopropylanilino)-1-(3-nitrophenyl)-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Isopropylanilino)-1-(3-nitrophenyl)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Isopropylanilino)-1-(3-nitrophenyl)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.