4-(4-Acetylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one
TL;DR: 4-(4-Acetylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one (CAS 339017-47-9) is a chemical compound with molecular formula C20H21NO4 and molecular weight 339.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-acetylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one
Also Known As: 4-(4-acetylanilino)-3-(3,4-dimethoxyphenyl)-3-buten-2-one, 4-(4-acetylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one
| Molecular Formula | C20H21NO4 |
|---|---|
| Molecular Weight | 339.15 g/mol |
| LogP | 3.9484 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 339.14706 |
| Heavy Atoms | 25 |
| Complexity | 806.9459 |
Chemical Identifiers
| CAS Number | 339017-47-9 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC=C(C2=CC(=C(C=C2)OC)OC)C(=O)C |
Product Overview
4-(4-Acetylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one (CAS 339017-47-9), with molecular formula C20H21NO4 and molecular weight 339.15 g/mol. IUPAC: 4-(4-acetylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one.
Chemical Property Profile of 4-(4-Acetylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one
Property Insights of 4-(4-Acetylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one
The XLogP value of 3.9484 indicates that 4-(4-Acetylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Acetylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one. Following Lipinski's Rule of Five, 4-(4-Acetylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one 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 4-(4-Acetylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one?
The CAS number of 4-(4-Acetylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one is 339017-47-9.
What is the molecular formula of 4-(4-Acetylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one?
The molecular formula of 4-(4-Acetylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one is C20H21NO4.
What is the molecular weight of 4-(4-Acetylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one?
The molecular weight of 4-(4-Acetylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one is 339.15 g/mol.
Where can I buy 4-(4-Acetylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one?
You can request a quote for 4-(4-Acetylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-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-(4-Acetylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Acetylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.