4-(3-Bromoanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one
TL;DR: 4-(3-Bromoanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one (CAS 339017-42-4) is a chemical compound with molecular formula C18H18BrNO3 and molecular weight 375.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-bromoanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one
Also Known As: Bionet1_002602, 4-(3-bromoanilino)-3-(3,4-dimethoxyphenyl)-3-buten-2-one, 4-(3-bromoanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one
| Molecular Formula | C18H18BrNO3 |
|---|---|
| Molecular Weight | 375.05 g/mol |
| LogP | 4.5083 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.047 |
| Heavy Atoms | 23 |
| Complexity | 740.7966 |
Chemical Identifiers
| CAS Number | 339017-42-4 |
|---|---|
| SMILES | CC(=O)C(=CNC1=CC(=CC=C1)Br)C2=CC(=C(C=C2)OC)OC |
Product Overview
4-(3-Bromoanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one (CAS 339017-42-4), with molecular formula C18H18BrNO3 and molecular weight 375.05 g/mol. IUPAC: 4-(3-bromoanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one.
Chemical Property Profile of 4-(3-Bromoanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one
Property Insights of 4-(3-Bromoanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one
The XLogP value of 4.5083 indicates that 4-(3-Bromoanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, 4-(3-Bromoanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Bromoanilino)-3-(3,4-dimethoxyphenyl)but-3-en-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-Bromoanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one?
The CAS number of 4-(3-Bromoanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one is 339017-42-4.
What is the molecular formula of 4-(3-Bromoanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one?
The molecular formula of 4-(3-Bromoanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one is C18H18BrNO3.
What is the molecular weight of 4-(3-Bromoanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one?
The molecular weight of 4-(3-Bromoanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one is 375.05 g/mol.
Where can I buy 4-(3-Bromoanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one?
You can request a quote for 4-(3-Bromoanilino)-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-(3-Bromoanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Bromoanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.