4-(3-Nitroanilino)-3-phenyl-3-buten-2-one
TL;DR: 4-(3-Nitroanilino)-3-phenyl-3-buten-2-one (CAS 339017-18-4) 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.
4-(3-nitroanilino)-3-phenylbut-3-en-2-one
Also Known As: 4-(3-nitroanilino)-3-phenyl-3-buten-2-one, 4-(3-nitroanilino)-3-phenylbut-3-en-2-one, 4-[(3-NITROPHENYL)AMINO]-3-PHENYLBUT-3-EN-2-ONE
| Molecular Formula | C16H14N2O3 |
|---|---|
| Molecular Weight | 282.10 g/mol |
| LogP | 3.6368 |
| 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 | 693.6781 |
Chemical Identifiers
| CAS Number | 339017-18-4 |
|---|---|
| SMILES | CC(=O)C(=CNC1=CC(=CC=C1)[N+](=O)[O-])C2=CC=CC=C2 |
Product Overview
4-(3-Nitroanilino)-3-phenyl-3-buten-2-one (CAS 339017-18-4), with molecular formula C16H14N2O3 and molecular weight 282.10 g/mol. IUPAC: 4-(3-nitroanilino)-3-phenylbut-3-en-2-one.
Chemical Property Profile of 4-(3-Nitroanilino)-3-phenyl-3-buten-2-one
Property Insights of 4-(3-Nitroanilino)-3-phenyl-3-buten-2-one
The XLogP value of 3.6368 indicates that 4-(3-Nitroanilino)-3-phenyl-3-buten-2-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 4-(3-Nitroanilino)-3-phenyl-3-buten-2-one. Following Lipinski's Rule of Five, 4-(3-Nitroanilino)-3-phenyl-3-buten-2-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 4-(3-Nitroanilino)-3-phenyl-3-buten-2-one?
The CAS number of 4-(3-Nitroanilino)-3-phenyl-3-buten-2-one is 339017-18-4.
What is the molecular formula of 4-(3-Nitroanilino)-3-phenyl-3-buten-2-one?
The molecular formula of 4-(3-Nitroanilino)-3-phenyl-3-buten-2-one is C16H14N2O3.
What is the molecular weight of 4-(3-Nitroanilino)-3-phenyl-3-buten-2-one?
The molecular weight of 4-(3-Nitroanilino)-3-phenyl-3-buten-2-one is 282.10 g/mol.
Where can I buy 4-(3-Nitroanilino)-3-phenyl-3-buten-2-one?
You can request a quote for 4-(3-Nitroanilino)-3-phenyl-3-buten-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Nitroanilino)-3-phenyl-3-buten-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Nitroanilino)-3-phenyl-3-buten-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.