3-(3-Chloroanilino)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
TL;DR: 3-(3-Chloroanilino)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one (CAS 335206-03-6) is a chemical compound with molecular formula C17H16ClNO3 and molecular weight 317.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloroanilino)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
Also Known As: BAS 02377500, 3-(3-chloroanilino)-1-(3,4-dimethoxyphenyl)-2-propen-1-one, 3-(3-chloroanilino)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
| Molecular Formula | C17H16ClNO3 |
|---|---|
| Molecular Weight | 317.08 g/mol |
| LogP | 4.1657 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.08188 |
| Heavy Atoms | 22 |
| Complexity | 698.05347 |
Chemical Identifiers
| CAS Number | 335206-03-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)C=CNC2=CC(=CC=C2)Cl)OC |
Product Overview
3-(3-Chloroanilino)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one (CAS 335206-03-6), with molecular formula C17H16ClNO3 and molecular weight 317.08 g/mol. IUPAC: 3-(3-chloroanilino)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one.
Chemical Property Profile of 3-(3-Chloroanilino)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
Property Insights of 3-(3-Chloroanilino)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
The XLogP value of 4.1657 indicates that 3-(3-Chloroanilino)-1-(3,4-dimethoxyphenyl)prop-2-en-1-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, 3-(3-Chloroanilino)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Chloroanilino)-1-(3,4-dimethoxyphenyl)prop-2-en-1-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 3-(3-Chloroanilino)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one?
The CAS number of 3-(3-Chloroanilino)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one is 335206-03-6.
What is the molecular formula of 3-(3-Chloroanilino)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one?
The molecular formula of 3-(3-Chloroanilino)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one is C17H16ClNO3.
What is the molecular weight of 3-(3-Chloroanilino)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one?
The molecular weight of 3-(3-Chloroanilino)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one is 317.08 g/mol.
Where can I buy 3-(3-Chloroanilino)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one?
You can request a quote for 3-(3-Chloroanilino)-1-(3,4-dimethoxyphenyl)prop-2-en-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-(3-Chloroanilino)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Chloroanilino)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.