3-anilino-1-(4-nitrophenyl)-3-phenylpropan-1-one
TL;DR: 3-anilino-1-(4-nitrophenyl)-3-phenylpropan-1-one (CAS 857-90-9) is a chemical compound with molecular formula C21H18N2O3 and molecular weight 346.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-anilino-1-(4-nitrophenyl)-3-phenylpropan-1-one
Also Known As: 3-anilino-1-(4-nitrophenyl)-3-phenylpropan-1-one, 1-(4-nitrophenyl)-3-phenyl-3-(phenylamino)propan-1-one, J3.172.076A, 1-Propanone, 1-(4-nitrophenyl)-3-phenyl-3-(phenylamino)-, beta-Phenyl-beta-anilino-4 -nitropropiophenone
| Molecular Formula | C21H18N2O3 |
|---|---|
| Molecular Weight | 346.13 g/mol |
| LogP | 5.021 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 346.13174 |
| Heavy Atoms | 26 |
| Complexity | 878.14935 |
Chemical Identifiers
| CAS Number | 857-90-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)[N+](=O)[O-])NC3=CC=CC=C3 |
Product Overview
3-anilino-1-(4-nitrophenyl)-3-phenylpropan-1-one (CAS 857-90-9), with molecular formula C21H18N2O3 and molecular weight 346.13 g/mol. IUPAC: 3-anilino-1-(4-nitrophenyl)-3-phenylpropan-1-one.
Chemical Property Profile of 3-anilino-1-(4-nitrophenyl)-3-phenylpropan-1-one
Property Insights of 3-anilino-1-(4-nitrophenyl)-3-phenylpropan-1-one
The XLogP value of 5.021 indicates that 3-anilino-1-(4-nitrophenyl)-3-phenylpropan-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 3-anilino-1-(4-nitrophenyl)-3-phenylpropan-1-one. Following Lipinski's Rule of Five, 3-anilino-1-(4-nitrophenyl)-3-phenylpropan-1-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-anilino-1-(4-nitrophenyl)-3-phenylpropan-1-one?
The CAS number of 3-anilino-1-(4-nitrophenyl)-3-phenylpropan-1-one is 857-90-9.
What is the molecular formula of 3-anilino-1-(4-nitrophenyl)-3-phenylpropan-1-one?
The molecular formula of 3-anilino-1-(4-nitrophenyl)-3-phenylpropan-1-one is C21H18N2O3.
What is the molecular weight of 3-anilino-1-(4-nitrophenyl)-3-phenylpropan-1-one?
The molecular weight of 3-anilino-1-(4-nitrophenyl)-3-phenylpropan-1-one is 346.13 g/mol.
Where can I buy 3-anilino-1-(4-nitrophenyl)-3-phenylpropan-1-one?
You can request a quote for 3-anilino-1-(4-nitrophenyl)-3-phenylpropan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-anilino-1-(4-nitrophenyl)-3-phenylpropan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-anilino-1-(4-nitrophenyl)-3-phenylpropan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.