Ethyl 3-benzylamino-2-butenoate
TL;DR: Ethyl 3-benzylamino-2-butenoate (CAS 1020-67-3) is a chemical compound with molecular formula C13H17NO2 and molecular weight 219.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(benzylamino)but-2-enoate
Also Known As: ethyl 3-(benzylamino)but-2-enoate, ethyl 3-benzylamino-2-butenoate, 3-Benzylamino-but-2-enoic acid ethyl ester, ethyl (E)-3-(benzylamino)but-2-enoate, (E)-ethyl 3-(benzylamino)but-2-enoate
| Molecular Formula | C13H17NO2 |
|---|---|
| Molecular Weight | 219.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 219.12593 |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 1020-67-3 |
|---|---|
| SMILES | CCOC(=O)C=C(C)NCC1=CC=CC=C1 |
| InChIKey | RWPJUWHLVMMSQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-benzylamino-2-butenoate (CAS 1020-67-3), with molecular formula C13H17NO2 and molecular weight 219.13 g/mol. IUPAC: ethyl 3-(benzylamino)but-2-enoate.
Chemical Property Profile of Ethyl 3-benzylamino-2-butenoate
Property Insights of Ethyl 3-benzylamino-2-butenoate
The XLogP value of 3.1 indicates that Ethyl 3-benzylamino-2-butenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Ethyl 3-benzylamino-2-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-benzylamino-2-butenoate 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 3-benzylamino-2-butenoate?
The CAS number of Ethyl 3-benzylamino-2-butenoate is 1020-67-3.
What is the molecular formula of Ethyl 3-benzylamino-2-butenoate?
The molecular formula of Ethyl 3-benzylamino-2-butenoate is C13H17NO2.
What is the molecular weight of Ethyl 3-benzylamino-2-butenoate?
The molecular weight of Ethyl 3-benzylamino-2-butenoate is 219.13 g/mol.
Where can I buy Ethyl 3-benzylamino-2-butenoate?
You can request a quote for Ethyl 3-benzylamino-2-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-benzylamino-2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-benzylamino-2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.