2-Propenoic acid, 2-phenylethyl ester
TL;DR: 2-Propenoic acid, 2-phenylethyl ester (CAS 3530-36-7) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl prop-2-enoate
Also Known As: 2-Phenylethyl acrylate, Phenethyl acrylate, 2-phenylethyl prop-2-enoate, Xylocytidine, 2-Propenoic acid, 2-phenylethyl ester
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 3530-36-7 |
|---|---|
| SMILES | C=CC(=O)OCCC1=CC=CC=C1 |
| InChIKey | HPSGLFKWHYAKSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, 2-phenylethyl ester (CAS 3530-36-7), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: 2-phenylethyl prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-phenylethyl ester
Property Insights of 2-Propenoic acid, 2-phenylethyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-phenylethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Propenoic acid, 2-phenylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-phenylethyl ester has 0 hydrogen bond donor(s) and 2 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-Propenoic acid, 2-phenylethyl ester?
The CAS number of 2-Propenoic acid, 2-phenylethyl ester is 3530-36-7.
What is the molecular formula of 2-Propenoic acid, 2-phenylethyl ester?
The molecular formula of 2-Propenoic acid, 2-phenylethyl ester is C11H12O2.
What is the molecular weight of 2-Propenoic acid, 2-phenylethyl ester?
The molecular weight of 2-Propenoic acid, 2-phenylethyl ester is 176.08 g/mol.
Where can I buy 2-Propenoic acid, 2-phenylethyl ester?
You can request a quote for 2-Propenoic acid, 2-phenylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 2-phenylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-phenylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.