Ethyl 3-iminobutanoate
TL;DR: Ethyl 3-iminobutanoate (CAS 29214-65-1) is a chemical compound with molecular formula C6H11NO2 and molecular weight 129.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-iminobutanoate
Also Known As: ethyl 3-iminobutanoate, ethyl aminocrotonate, ethyl3-iminobutanoate, Butanoic acid, ethyl ester, 3-Iminobutyric acid ethyl ester
| Molecular Formula | C6H11NO2 |
|---|---|
| Molecular Weight | 129.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 129.07898 |
| Heavy Atoms | 9 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 29214-65-1 |
|---|---|
| SMILES | CCOC(=O)CC(=N)C |
| InChIKey | MBWLFLMQDIFCEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-iminobutanoate (CAS 29214-65-1), with molecular formula C6H11NO2 and molecular weight 129.08 g/mol. IUPAC: ethyl 3-iminobutanoate.
Chemical Property Profile of Ethyl 3-iminobutanoate
Property Insights of Ethyl 3-iminobutanoate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-iminobutanoate. With a topological polar surface area (TPSA) of 50.2 Ų, Ethyl 3-iminobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-iminobutanoate 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-iminobutanoate?
The CAS number of Ethyl 3-iminobutanoate is 29214-65-1.
What is the molecular formula of Ethyl 3-iminobutanoate?
The molecular formula of Ethyl 3-iminobutanoate is C6H11NO2.
What is the molecular weight of Ethyl 3-iminobutanoate?
The molecular weight of Ethyl 3-iminobutanoate is 129.08 g/mol.
Where can I buy Ethyl 3-iminobutanoate?
You can request a quote for Ethyl 3-iminobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-iminobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-iminobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.