Acrylophenone, 3-chloro-2',4'-dimethyl-, (E)-
TL;DR: Acrylophenone, 3-chloro-2',4'-dimethyl-, (E)- (CAS 58953-19-8) is a chemical compound with molecular formula C11H11ClO and molecular weight 194.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-chloro-1-(2,4-dimethylphenyl)prop-2-en-1-one
Also Known As: trans-3-Chloro-2',4'-dimethylacrylophenone, ACRYLOPHENONE, 3-CHLORO-2',4'-DIMETHYL-, (E)-, beta-Chloro-2 ,4 -dimethylacrylophenone, 2-Propen-1-one, 3-chloro-1-(2,4-dimethylphenyl)-, (E)-, 3-chloro-1-(2,4-dimethylphenyl)prop-2-en-1-one
| Molecular Formula | C11H11ClO |
|---|---|
| Molecular Weight | 194.05 g/mol |
| LogP | 3.23864 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.04984 |
| Heavy Atoms | 13 |
| Complexity | 353.10794 |
Chemical Identifiers
| CAS Number | 58953-19-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)/C=C/Cl)C |
Product Overview
Acrylophenone, 3-chloro-2',4'-dimethyl-, (E)- (CAS 58953-19-8), with molecular formula C11H11ClO and molecular weight 194.05 g/mol. IUPAC: (E)-3-chloro-1-(2,4-dimethylphenyl)prop-2-en-1-one.
Chemical Property Profile of Acrylophenone, 3-chloro-2',4'-dimethyl-, (E)-
Property Insights of Acrylophenone, 3-chloro-2',4'-dimethyl-, (E)-
The XLogP value of 3.23864 indicates that Acrylophenone, 3-chloro-2',4'-dimethyl-, (E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, Acrylophenone, 3-chloro-2',4'-dimethyl-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acrylophenone, 3-chloro-2',4'-dimethyl-, (E)- has 0 hydrogen bond donor(s) and 1 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 Acrylophenone, 3-chloro-2',4'-dimethyl-, (E)-?
The CAS number of Acrylophenone, 3-chloro-2',4'-dimethyl-, (E)- is 58953-19-8.
What is the molecular formula of Acrylophenone, 3-chloro-2',4'-dimethyl-, (E)-?
The molecular formula of Acrylophenone, 3-chloro-2',4'-dimethyl-, (E)- is C11H11ClO.
What is the molecular weight of Acrylophenone, 3-chloro-2',4'-dimethyl-, (E)-?
The molecular weight of Acrylophenone, 3-chloro-2',4'-dimethyl-, (E)- is 194.05 g/mol.
Where can I buy Acrylophenone, 3-chloro-2',4'-dimethyl-, (E)-?
You can request a quote for Acrylophenone, 3-chloro-2',4'-dimethyl-, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acrylophenone, 3-chloro-2',4'-dimethyl-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for Acrylophenone, 3-chloro-2',4'-dimethyl-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.