2-Propenoic acid, 3-phenyl-, 2-methyl-2-propenyl ester
TL;DR: 2-Propenoic acid, 3-phenyl-, 2-methyl-2-propenyl ester (CAS 54889-46-2) is a chemical compound with molecular formula C13H14O2 and molecular weight 202.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylprop-2-enyl 3-phenylprop-2-enoate
Also Known As: trans-Zimtsaeure-methallylester, 2-methylprop-2-enyl 3-phenylprop-2-enoate, 2-Propenoic acid, 3-phenyl-, 2-methyl-2-propenyl ester, 3-Phenylpropenoic acid 2-methyl-2-propenyl ester, 2-METHYLPROP-2-EN-1-YL 3-PHENYLPROP-2-ENOATE
| Molecular Formula | C13H14O2 |
|---|---|
| Molecular Weight | 202.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 202.09938 |
| Heavy Atoms | 15 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 54889-46-2 |
|---|---|
| SMILES | CC(=C)COC(=O)C=CC1=CC=CC=C1 |
| InChIKey | FNVFUZWYFHWIPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, 3-phenyl-, 2-methyl-2-propenyl ester (CAS 54889-46-2), with molecular formula C13H14O2 and molecular weight 202.10 g/mol. IUPAC: 2-methylprop-2-enyl 3-phenylprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 3-phenyl-, 2-methyl-2-propenyl ester
Property Insights of 2-Propenoic acid, 3-phenyl-, 2-methyl-2-propenyl ester
The XLogP value of 3.5 indicates that 2-Propenoic acid, 3-phenyl-, 2-methyl-2-propenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Propenoic acid, 3-phenyl-, 2-methyl-2-propenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-phenyl-, 2-methyl-2-propenyl 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, 3-phenyl-, 2-methyl-2-propenyl ester?
The CAS number of 2-Propenoic acid, 3-phenyl-, 2-methyl-2-propenyl ester is 54889-46-2.
What is the molecular formula of 2-Propenoic acid, 3-phenyl-, 2-methyl-2-propenyl ester?
The molecular formula of 2-Propenoic acid, 3-phenyl-, 2-methyl-2-propenyl ester is C13H14O2.
What is the molecular weight of 2-Propenoic acid, 3-phenyl-, 2-methyl-2-propenyl ester?
The molecular weight of 2-Propenoic acid, 3-phenyl-, 2-methyl-2-propenyl ester is 202.10 g/mol.
Where can I buy 2-Propenoic acid, 3-phenyl-, 2-methyl-2-propenyl ester?
You can request a quote for 2-Propenoic acid, 3-phenyl-, 2-methyl-2-propenyl 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, 3-phenyl-, 2-methyl-2-propenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-phenyl-, 2-methyl-2-propenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.