4-(3-Chloro-2-methylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one
TL;DR: 4-(3-Chloro-2-methylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one (CAS 339017-39-9) is a chemical compound with molecular formula C19H20ClNO3 and molecular weight 345.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chloro-2-methylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one
Also Known As: 4-(3-chloro-2-methylanilino)-3-(3,4-dimethoxyphenyl)-3-buten-2-one, 4-(3-chloro-2-methylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one
| Molecular Formula | C19H20ClNO3 |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | 4.70762 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.11316 |
| Heavy Atoms | 24 |
| Complexity | 784.1765 |
Chemical Identifiers
| CAS Number | 339017-39-9 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC=C(C2=CC(=C(C=C2)OC)OC)C(=O)C |
Product Overview
4-(3-Chloro-2-methylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one (CAS 339017-39-9), with molecular formula C19H20ClNO3 and molecular weight 345.11 g/mol. IUPAC: 4-(3-chloro-2-methylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one.
Chemical Property Profile of 4-(3-Chloro-2-methylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one
Property Insights of 4-(3-Chloro-2-methylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one
The XLogP value of 4.70762 indicates that 4-(3-Chloro-2-methylanilino)-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-Chloro-2-methylanilino)-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-Chloro-2-methylanilino)-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-Chloro-2-methylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one?
The CAS number of 4-(3-Chloro-2-methylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one is 339017-39-9.
What is the molecular formula of 4-(3-Chloro-2-methylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one?
The molecular formula of 4-(3-Chloro-2-methylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one is C19H20ClNO3.
What is the molecular weight of 4-(3-Chloro-2-methylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one?
The molecular weight of 4-(3-Chloro-2-methylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one is 345.11 g/mol.
Where can I buy 4-(3-Chloro-2-methylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one?
You can request a quote for 4-(3-Chloro-2-methylanilino)-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-Chloro-2-methylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Chloro-2-methylanilino)-3-(3,4-dimethoxyphenyl)but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.