![2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-, (E)- structure](/static/products/539/53901-95-4.png)
2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-, (E)-
TL;DR: 2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-, (E)- (CAS 53901-95-4) is a chemical compound with molecular formula C11H9ClO3 and molecular weight 224.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3-chloro-3-oxoprop-1-enyl)phenyl] acetate
Also Known As: p-acetoxycinnamoyl chloride, 4-acetoxycinnamoyl chloride, acetyl 4-coumaric acid chloride, 3-(4-acetoxyphenyl)-2-propenoyl chloride, 2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-, (E)-
| Molecular Formula | C11H9ClO3 |
|---|---|
| Molecular Weight | 224.02 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.02402 |
| Heavy Atoms | 15 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 53901-95-4 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)C=CC(=O)Cl |
| InChIKey | FXTAOSIHTREOSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-, (E)- (CAS 53901-95-4), with molecular formula C11H9ClO3 and molecular weight 224.02 g/mol. IUPAC: [4-(3-chloro-3-oxoprop-1-enyl)phenyl] acetate.
Chemical Property Profile of 2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-, (E)-
Property Insights of 2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-, (E)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-, (E)-. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-, (E)- has 0 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 2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-, (E)-?
The CAS number of 2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-, (E)- is 53901-95-4.
What is the molecular formula of 2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-, (E)-?
The molecular formula of 2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-, (E)- is C11H9ClO3.
What is the molecular weight of 2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-, (E)-?
The molecular weight of 2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-, (E)- is 224.02 g/mol.
Where can I buy 2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-, (E)-?
You can request a quote for 2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.