1-(5-Chloro-2-hydroxyphenyl)-3-(diethylamino)prop-2-en-1-one
TL;DR: 1-(5-Chloro-2-hydroxyphenyl)-3-(diethylamino)prop-2-en-1-one (CAS 213689-95-3) is a chemical compound with molecular formula C13H16ClNO2 and molecular weight 253.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-chloro-2-hydroxyphenyl)-3-(diethylamino)prop-2-en-1-one
Also Known As: 1-(5-chloro-2-hydroxyphenyl)-3-(diethylamino)prop-2-en-1-one, (E)-1-(5-chloro-2-hydroxyphenyl)-3-(diethylamino)prop-2-en-1-one, 2-Propen-1-one,1-(5-chloro-2-hydroxyphenyl)-3-(diethylamino)-, 1-(5-CHLORO-2-HYDROXYPHENYL)-3-(DIETHYLAMINO)-2-PROPEN-1-ONE
| Molecular Formula | C13H16ClNO2 |
|---|---|
| Molecular Weight | 253.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.08696 |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 213689-95-3 |
|---|---|
| SMILES | CCN(CC)C=CC(=O)C1=C(C=CC(=C1)Cl)O |
| InChIKey | BJYYZGIRVFDQPT-UHFFFAOYSA-N |
Product Overview
1-(5-Chloro-2-hydroxyphenyl)-3-(diethylamino)prop-2-en-1-one (CAS 213689-95-3), with molecular formula C13H16ClNO2 and molecular weight 253.09 g/mol. IUPAC: 1-(5-chloro-2-hydroxyphenyl)-3-(diethylamino)prop-2-en-1-one.
Chemical Property Profile of 1-(5-Chloro-2-hydroxyphenyl)-3-(diethylamino)prop-2-en-1-one
Property Insights of 1-(5-Chloro-2-hydroxyphenyl)-3-(diethylamino)prop-2-en-1-one
The XLogP value of 3.5 indicates that 1-(5-Chloro-2-hydroxyphenyl)-3-(diethylamino)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 40.5 Ų, 1-(5-Chloro-2-hydroxyphenyl)-3-(diethylamino)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Chloro-2-hydroxyphenyl)-3-(diethylamino)prop-2-en-1-one has 1 hydrogen bond donor(s) and 3 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 1-(5-Chloro-2-hydroxyphenyl)-3-(diethylamino)prop-2-en-1-one?
The CAS number of 1-(5-Chloro-2-hydroxyphenyl)-3-(diethylamino)prop-2-en-1-one is 213689-95-3.
What is the molecular formula of 1-(5-Chloro-2-hydroxyphenyl)-3-(diethylamino)prop-2-en-1-one?
The molecular formula of 1-(5-Chloro-2-hydroxyphenyl)-3-(diethylamino)prop-2-en-1-one is C13H16ClNO2.
What is the molecular weight of 1-(5-Chloro-2-hydroxyphenyl)-3-(diethylamino)prop-2-en-1-one?
The molecular weight of 1-(5-Chloro-2-hydroxyphenyl)-3-(diethylamino)prop-2-en-1-one is 253.09 g/mol.
Where can I buy 1-(5-Chloro-2-hydroxyphenyl)-3-(diethylamino)prop-2-en-1-one?
You can request a quote for 1-(5-Chloro-2-hydroxyphenyl)-3-(diethylamino)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 1-(5-Chloro-2-hydroxyphenyl)-3-(diethylamino)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Chloro-2-hydroxyphenyl)-3-(diethylamino)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.