2-Butenoic acid, 3-ethoxy-, ethyl ester
TL;DR: 2-Butenoic acid, 3-ethoxy-, ethyl ester (CAS 998-91-4) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-ethoxybut-2-enoate
Also Known As: Ethyl 3-ethoxybut-2-enoate, Ethyl 3-ethoxy-2-butenoate, Ethyl 3-ethoxycrotonate, ethyl-3-ethoxybut-2-enoate, 2-Butenoic acid, 3-ethoxy-, ethyl ester
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.0943 |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 998-91-4 |
|---|---|
| SMILES | CCOC(=CC(=O)OCC)C |
| InChIKey | ZOCYCSPSSNMXBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butenoic acid, 3-ethoxy-, ethyl ester (CAS 998-91-4), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: ethyl 3-ethoxybut-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 3-ethoxy-, ethyl ester
Property Insights of 2-Butenoic acid, 3-ethoxy-, ethyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 3-ethoxy-, ethyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Butenoic acid, 3-ethoxy-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 3-ethoxy-, ethyl ester has 0 hydrogen bond donor(s) and 3 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-Butenoic acid, 3-ethoxy-, ethyl ester?
The CAS number of 2-Butenoic acid, 3-ethoxy-, ethyl ester is 998-91-4.
What is the molecular formula of 2-Butenoic acid, 3-ethoxy-, ethyl ester?
The molecular formula of 2-Butenoic acid, 3-ethoxy-, ethyl ester is C8H14O3.
What is the molecular weight of 2-Butenoic acid, 3-ethoxy-, ethyl ester?
The molecular weight of 2-Butenoic acid, 3-ethoxy-, ethyl ester is 158.09 g/mol.
Where can I buy 2-Butenoic acid, 3-ethoxy-, ethyl ester?
You can request a quote for 2-Butenoic acid, 3-ethoxy-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid, 3-ethoxy-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 3-ethoxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.