丙酸乙烯酯
TL;DR: 丙酸乙烯酯 (CAS 105-38-4) is a chemical compound with molecular formula C5H8O2 and molecular weight 100.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙酸乙烯酯
ethenyl propanoate
Also Known As: VINYL PROPIONATE, Vinyl propanoate, ethenyl propanoate, Propanoic acid, ethenyl ester, Vinylpropionate
| Molecular Formula | C5H8O2 |
|---|---|
| Molecular Weight | 100.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 100.05243 |
| Heavy Atoms | 7 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 105-38-4 |
|---|---|
| SMILES | CCC(=O)OC=C |
| InChIKey | UIWXSTHGICQLQT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙酸乙烯酯 (CAS 105-38-4), with molecular formula C5H8O2 and molecular weight 100.05 g/mol. IUPAC: ethenyl propanoate.
Chemical Property Profile of 丙酸乙烯酯
Property Insights of 丙酸乙烯酯
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙酸乙烯酯. With a topological polar surface area (TPSA) of 26.3 Ų, 丙酸乙烯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙酸乙烯酯 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 丙酸乙烯酯?
The CAS number of 丙酸乙烯酯 is 105-38-4.
What is the molecular formula of 丙酸乙烯酯?
The molecular formula of 丙酸乙烯酯 is C5H8O2.
What is the molecular weight of 丙酸乙烯酯?
The molecular weight of 丙酸乙烯酯 is 100.05 g/mol.
Where can I buy 丙酸乙烯酯?
You can request a quote for 丙酸乙烯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙酸乙烯酯?
Yes, KEHONG BIO provides custom synthesis services for 丙酸乙烯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.