丙炔酸烯丙酯
TL;DR: 丙炔酸烯丙酯 (CAS 14447-00-8) is a chemical compound with molecular formula C6H6O2 and molecular weight 110.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙炔酸烯丙酯
prop-2-enyl prop-2-ynoate
Also Known As: allyl propiolate, allyl propynoate, Propiolic acid, allyl ester, Propynoic acid allyl ester, 2-Propynoic acid, 2-propenyl ester
| Molecular Formula | C6H6O2 |
|---|---|
| Molecular Weight | 110.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 110.03678 |
| Heavy Atoms | 8 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 14447-00-8 |
|---|---|
| SMILES | C=CCOC(=O)C#C |
| InChIKey | UYEIEPSGKUVQPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙炔酸烯丙酯 (CAS 14447-00-8), with molecular formula C6H6O2 and molecular weight 110.04 g/mol. IUPAC: prop-2-enyl prop-2-ynoate.
Chemical Property Profile of 丙炔酸烯丙酯
Property Insights of 丙炔酸烯丙酯
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙炔酸烯丙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 丙炔酸烯丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙炔酸烯丙酯 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 丙炔酸烯丙酯?
The CAS number of 丙炔酸烯丙酯 is 14447-00-8.
What is the molecular formula of 丙炔酸烯丙酯?
The molecular formula of 丙炔酸烯丙酯 is C6H6O2.
What is the molecular weight of 丙炔酸烯丙酯?
The molecular weight of 丙炔酸烯丙酯 is 110.04 g/mol.
Where can I buy 丙炔酸烯丙酯?
You can request a quote for 丙炔酸烯丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙炔酸烯丙酯?
Yes, KEHONG BIO provides custom synthesis services for 丙炔酸烯丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.