beta-Aminobeta-ethoxyacrylic acid ethyl ester
TL;DR: beta-Aminobeta-ethoxyacrylic acid ethyl ester (CAS 39632-87-6) is a chemical compound with molecular formula C7H13NO3 and molecular weight 159.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-3-ethoxyprop-2-enoate
Also Known As: ethyl 3-amino-3-ethoxyacrylate, Athyl-ss-amino-ss-athoxy-acrylat, ethyl 3-amino-3-ethoxyprop-2-enoate, ethyl 3-amino-3-ethoxy-prop-2-enoate, 3-amino-3-ethoxy-acrylic acid ethyl ester
| Molecular Formula | C7H13NO3 |
|---|---|
| Molecular Weight | 159.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 159.08954 |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 39632-87-6 |
|---|---|
| SMILES | CCOC(=CC(=O)OCC)N |
| InChIKey | XLTPBSBNLKQLHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Aminobeta-ethoxyacrylic acid ethyl ester (CAS 39632-87-6), with molecular formula C7H13NO3 and molecular weight 159.09 g/mol. IUPAC: ethyl 3-amino-3-ethoxyprop-2-enoate.
Chemical Property Profile of beta-Aminobeta-ethoxyacrylic acid ethyl ester
Property Insights of beta-Aminobeta-ethoxyacrylic acid ethyl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Aminobeta-ethoxyacrylic acid ethyl ester. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Aminobeta-ethoxyacrylic acid ethyl ester. Following Lipinski's Rule of Five, beta-Aminobeta-ethoxyacrylic acid ethyl ester has 1 hydrogen bond donor(s) and 4 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 beta-Aminobeta-ethoxyacrylic acid ethyl ester?
The CAS number of beta-Aminobeta-ethoxyacrylic acid ethyl ester is 39632-87-6.
What is the molecular formula of beta-Aminobeta-ethoxyacrylic acid ethyl ester?
The molecular formula of beta-Aminobeta-ethoxyacrylic acid ethyl ester is C7H13NO3.
What is the molecular weight of beta-Aminobeta-ethoxyacrylic acid ethyl ester?
The molecular weight of beta-Aminobeta-ethoxyacrylic acid ethyl ester is 159.09 g/mol.
Where can I buy beta-Aminobeta-ethoxyacrylic acid ethyl ester?
You can request a quote for beta-Aminobeta-ethoxyacrylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Aminobeta-ethoxyacrylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for beta-Aminobeta-ethoxyacrylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.