2-丁烯酸乙酯
TL;DR: 2-丁烯酸乙酯 (CAS 10544-63-5) is a chemical compound with molecular formula C6H10O2 and molecular weight 114.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-丁烯酸乙酯
ethyl but-2-enoate
Also Known As: ETHYL CROTONATE, Ethyl but-2-enoate, Ethylcrotonate, ethyl butenoate, 2-Butenoic acid, ethyl ester
| Molecular Formula | C6H10O2 |
|---|---|
| Molecular Weight | 114.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 114.06808 |
| Heavy Atoms | 8 |
| Complexity | 94.0 |
| Density | 0.916-0.921 |
| Solubility | Insoluble in water; soluble in oils |
| Refractive Index | 1.422-1.428 |
Chemical Identifiers
| CAS Number | 10544-63-5 |
|---|---|
| SMILES | CCOC(=O)C=CC |
| InChIKey | ZFDIRQKJPRINOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-丁烯酸乙酯 (CAS 10544-63-5), with molecular formula C6H10O2 and molecular weight 114.07 g/mol. IUPAC: ethyl but-2-enoate.
Chemical Property Profile of 2-丁烯酸乙酯
Property Insights of 2-丁烯酸乙酯
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-丁烯酸乙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 2-丁烯酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-丁烯酸乙酯 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 2-丁烯酸乙酯?
The CAS number of 2-丁烯酸乙酯 is 10544-63-5.
What is the molecular formula of 2-丁烯酸乙酯?
The molecular formula of 2-丁烯酸乙酯 is C6H10O2.
What is the molecular weight of 2-丁烯酸乙酯?
The molecular weight of 2-丁烯酸乙酯 is 114.07 g/mol.
Where can I buy 2-丁烯酸乙酯?
You can request a quote for 2-丁烯酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-丁烯酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 2-丁烯酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.