1-Propen-1-ol, 2-phenyl-, acetate, (1E)-
TL;DR: 1-Propen-1-ol, 2-phenyl-, acetate, (1E)- (CAS 37973-52-7) 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-phenylprop-1-enyl acetate
Also Known As: 2-phenylprop-1-enyl acetate, 2-Phenylpropenyl acetate, (Z)-2-phenyl propenyl acetate, 2-phenylprop-1-en-1-yl acetate, 1-Propen-1-ol, 2-phenyl-, acetate, (1E)-
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 37973-52-7 |
|---|---|
| SMILES | CC(=COC(=O)C)C1=CC=CC=C1 |
| InChIKey | CLCGEEANBAUENX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Propen-1-ol, 2-phenyl-, acetate, (1E)- (CAS 37973-52-7), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: 2-phenylprop-1-enyl acetate.
Chemical Property Profile of 1-Propen-1-ol, 2-phenyl-, acetate, (1E)-
Property Insights of 1-Propen-1-ol, 2-phenyl-, acetate, (1E)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propen-1-ol, 2-phenyl-, acetate, (1E)-. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Propen-1-ol, 2-phenyl-, acetate, (1E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propen-1-ol, 2-phenyl-, acetate, (1E)- 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 1-Propen-1-ol, 2-phenyl-, acetate, (1E)-?
The CAS number of 1-Propen-1-ol, 2-phenyl-, acetate, (1E)- is 37973-52-7.
What is the molecular formula of 1-Propen-1-ol, 2-phenyl-, acetate, (1E)-?
The molecular formula of 1-Propen-1-ol, 2-phenyl-, acetate, (1E)- is C11H12O2.
What is the molecular weight of 1-Propen-1-ol, 2-phenyl-, acetate, (1E)-?
The molecular weight of 1-Propen-1-ol, 2-phenyl-, acetate, (1E)- is 176.08 g/mol.
Where can I buy 1-Propen-1-ol, 2-phenyl-, acetate, (1E)-?
You can request a quote for 1-Propen-1-ol, 2-phenyl-, acetate, (1E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propen-1-ol, 2-phenyl-, acetate, (1E)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Propen-1-ol, 2-phenyl-, acetate, (1E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.