![2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]- structure](/static/products/5852/58523-18-5.webp)
2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-
TL;DR: 2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]- (CAS 58523-18-5) 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-[(E)-3-chloro-3-oxoprop-1-enyl]phenyl] acetate
Also Known As: p-acetoxycinnamoyl chloride, 4-Acetoxy-trans-cinnamic acid chloride, J1.650.020H, J3.761.746F, [4-(3-chloro-3-oxoprop-1-enyl)phenyl] acetate
| Molecular Formula | C11H9ClO3 |
|---|---|
| Molecular Weight | 224.02 g/mol |
| LogP | 2.3905 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.02402 |
| Heavy Atoms | 15 |
| Complexity | 392.79898 |
Chemical Identifiers
| CAS Number | 58523-18-5 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)/C=C/C(=O)Cl |
Product Overview
2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]- (CAS 58523-18-5), with molecular formula C11H9ClO3 and molecular weight 224.02 g/mol. IUPAC: [4-[(E)-3-chloro-3-oxoprop-1-enyl]phenyl] acetate.
Chemical Property Profile of 2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-
Property Insights of 2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-
The XLogP value of 2.3905 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-. With a topological polar surface area (TPSA) of 43.37 Ų, 2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]- 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]-?
The CAS number of 2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]- is 58523-18-5.
What is the molecular formula of 2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-?
The molecular formula of 2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]- is C11H9ClO3.
What is the molecular weight of 2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-?
The molecular weight of 2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]- is 224.02 g/mol.
Where can I buy 2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-?
You can request a quote for 2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]- 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]-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.