Ethyl (2E)-3-(ethylamino)but-2-enoate
TL;DR: Ethyl (2E)-3-(ethylamino)but-2-enoate (CAS 13070-53-6) is a chemical compound with molecular formula C8H15NO2 and molecular weight 157.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(ethylamino)but-2-enoate
Also Known As: ethyl 3-(ethylamino)but-2-enoate, ETHYL 3-(ETHYLAMINO)CROTONATE, (E)-ethyl 3-(ethylamino)but-2-enoate, 3-Ethylamino-but-2-enoic acid ethyl ester, 2-Butenoic acid,3-(ethylamino)-, ethyl ester
| Molecular Formula | C8H15NO2 |
|---|---|
| Molecular Weight | 157.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 157.11028 |
| Heavy Atoms | 11 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 13070-53-6 |
|---|---|
| SMILES | CCNC(=CC(=O)OCC)C |
| InChIKey | MRDCWMLXFWVCIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl (2E)-3-(ethylamino)but-2-enoate (CAS 13070-53-6), with molecular formula C8H15NO2 and molecular weight 157.11 g/mol. IUPAC: ethyl 3-(ethylamino)but-2-enoate.
Chemical Property Profile of Ethyl (2E)-3-(ethylamino)but-2-enoate
Property Insights of Ethyl (2E)-3-(ethylamino)but-2-enoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2E)-3-(ethylamino)but-2-enoate. With a topological polar surface area (TPSA) of 38.3 Ų, Ethyl (2E)-3-(ethylamino)but-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (2E)-3-(ethylamino)but-2-enoate has 1 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 Ethyl (2E)-3-(ethylamino)but-2-enoate?
The CAS number of Ethyl (2E)-3-(ethylamino)but-2-enoate is 13070-53-6.
What is the molecular formula of Ethyl (2E)-3-(ethylamino)but-2-enoate?
The molecular formula of Ethyl (2E)-3-(ethylamino)but-2-enoate is C8H15NO2.
What is the molecular weight of Ethyl (2E)-3-(ethylamino)but-2-enoate?
The molecular weight of Ethyl (2E)-3-(ethylamino)but-2-enoate is 157.11 g/mol.
Where can I buy Ethyl (2E)-3-(ethylamino)but-2-enoate?
You can request a quote for Ethyl (2E)-3-(ethylamino)but-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (2E)-3-(ethylamino)but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2E)-3-(ethylamino)but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.