3-Phenylprop-2-ynyl acetate
TL;DR: 3-Phenylprop-2-ynyl acetate (CAS 37559-18-5) is a chemical compound with molecular formula C11H10O2 and molecular weight 174.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylprop-2-ynyl acetate
Also Known As: 3-phenylprop-2-ynyl acetate, 3-phenyl-2-propynyl acetate, 3-phenylprop-2-yn-1-yl acetate, 1-Phenyl-3-acetoxy-1-propyne, 3-Phenyl-2-propyne-1-ol acetate
| Molecular Formula | C11H10O2 |
|---|---|
| Molecular Weight | 174.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 174.06808 |
| Heavy Atoms | 13 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 37559-18-5 |
|---|---|
| SMILES | CC(=O)OCC#CC1=CC=CC=C1 |
| InChIKey | COAMNQXIYTUGMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenylprop-2-ynyl acetate (CAS 37559-18-5), with molecular formula C11H10O2 and molecular weight 174.07 g/mol. IUPAC: 3-phenylprop-2-ynyl acetate.
Chemical Property Profile of 3-Phenylprop-2-ynyl acetate
Property Insights of 3-Phenylprop-2-ynyl acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenylprop-2-ynyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Phenylprop-2-ynyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylprop-2-ynyl acetate 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 3-Phenylprop-2-ynyl acetate?
The CAS number of 3-Phenylprop-2-ynyl acetate is 37559-18-5.
What is the molecular formula of 3-Phenylprop-2-ynyl acetate?
The molecular formula of 3-Phenylprop-2-ynyl acetate is C11H10O2.
What is the molecular weight of 3-Phenylprop-2-ynyl acetate?
The molecular weight of 3-Phenylprop-2-ynyl acetate is 174.07 g/mol.
Where can I buy 3-Phenylprop-2-ynyl acetate?
You can request a quote for 3-Phenylprop-2-ynyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylprop-2-ynyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylprop-2-ynyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.