Ethyl 2,3-butadienoate
TL;DR: Ethyl 2,3-butadienoate (CAS 14369-81-4) is a chemical compound with molecular formula C6H8O2 and molecular weight 112.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl buta-2,3-dienoate
Also Known As: Ethyl 2,3-butadienoate, Ethyl Buta-2,3-dienoate, 2,3-Butadienoic acid, ethyl ester, 2,3-Butadienoic Acid Ethyl Ester, Ethyl 23-Butadienoate
| Molecular Formula | C6H8O2 |
|---|---|
| Molecular Weight | 112.05 g/mol |
| LogP | 0.8906 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 112.05243 |
| Heavy Atoms | 8 |
| Complexity | 120.49023 |
Chemical Identifiers
| CAS Number | 14369-81-4 |
|---|---|
| SMILES | CCOC(=O)C=C=C |
Product Overview
Ethyl 2,3-butadienoate (CAS 14369-81-4), with molecular formula C6H8O2 and molecular weight 112.05 g/mol. IUPAC: ethyl buta-2,3-dienoate.
Chemical Property Profile of Ethyl 2,3-butadienoate
Property Insights of Ethyl 2,3-butadienoate
The XLogP value of 0.8906 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,3-butadienoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2,3-butadienoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,3-butadienoate 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 Ethyl 2,3-butadienoate?
The CAS number of Ethyl 2,3-butadienoate is 14369-81-4.
What is the molecular formula of Ethyl 2,3-butadienoate?
The molecular formula of Ethyl 2,3-butadienoate is C6H8O2.
What is the molecular weight of Ethyl 2,3-butadienoate?
The molecular weight of Ethyl 2,3-butadienoate is 112.05 g/mol.
Where can I buy Ethyl 2,3-butadienoate?
You can request a quote for Ethyl 2,3-butadienoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,3-butadienoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,3-butadienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.