苯乙酸2-丙炔-1-基酯
TL;DR: 苯乙酸2-丙炔-1-基酯 (CAS 72928-39-3) 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.
苯乙酸2-丙炔-1-基酯
prop-2-ynyl 2-phenylacetate
Also Known As: 2-Propynyl benzeneacetate, prop-2-ynyl 2-phenylacetate, propargyl phenylacetate, Benzeneacetic acid, 2-propynyl ester, Prop-2-yn-1-yl phenylacetate
| Molecular Formula | C11H10O2 |
|---|---|
| Molecular Weight | 174.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 174.06808 |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 72928-39-3 |
|---|---|
| SMILES | C#CCOC(=O)CC1=CC=CC=C1 |
| InChIKey | PGGKKLLJQLDTQC-UHFFFAOYSA-N |
Product Overview
苯乙酸2-丙炔-1-基酯 (CAS 72928-39-3), with molecular formula C11H10O2 and molecular weight 174.07 g/mol. IUPAC: prop-2-ynyl 2-phenylacetate.
Chemical Property Profile of 苯乙酸2-丙炔-1-基酯
Property Insights of 苯乙酸2-丙炔-1-基酯
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯乙酸2-丙炔-1-基酯. With a topological polar surface area (TPSA) of 26.3 Ų, 苯乙酸2-丙炔-1-基酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯乙酸2-丙炔-1-基酯 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 苯乙酸2-丙炔-1-基酯?
The CAS number of 苯乙酸2-丙炔-1-基酯 is 72928-39-3.
What is the molecular formula of 苯乙酸2-丙炔-1-基酯?
The molecular formula of 苯乙酸2-丙炔-1-基酯 is C11H10O2.
What is the molecular weight of 苯乙酸2-丙炔-1-基酯?
The molecular weight of 苯乙酸2-丙炔-1-基酯 is 174.07 g/mol.
Where can I buy 苯乙酸2-丙炔-1-基酯?
You can request a quote for 苯乙酸2-丙炔-1-基酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯乙酸2-丙炔-1-基酯?
Yes, KEHONG BIO provides custom synthesis services for 苯乙酸2-丙炔-1-基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.