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Ethyl 3-[(furan-2-ylmethyl)(ethoxycarbonyl)amino]propanoate
TL;DR: Ethyl 3-[(furan-2-ylmethyl)(ethoxycarbonyl)amino]propanoate (CAS 7460-39-1) is a chemical compound with molecular formula C13H19NO5 and molecular weight 269.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[ethoxycarbonyl(furan-2-ylmethyl)amino]propanoate
Also Known As: Ethyl 3-[(furan-2-ylmethyl)(ethoxycarbonyl)amino]propanoate, ethyl 3-[ethoxycarbonyl(furan-2-ylmethyl)amino]propanoate, Ethyl 3-[(furan-2-ylmethyl) (ethoxycarbonyl)amino]-propionate, Ethyl N-(ethoxycarbonyl)-N-[(furan-2-yl)methyl]-beta-alaninate
| Molecular Formula | C13H19NO5 |
|---|---|
| Molecular Weight | 269.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 69.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 269.1263 |
| Heavy Atoms | 19 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 7460-39-1 |
|---|---|
| SMILES | CCOC(=O)CCN(CC1=CC=CO1)C(=O)OCC |
| InChIKey | SMICBNFMOZDODZ-UHFFFAOYSA-N |
Product Overview
Ethyl 3-[(furan-2-ylmethyl)(ethoxycarbonyl)amino]propanoate (CAS 7460-39-1), with molecular formula C13H19NO5 and molecular weight 269.13 g/mol. IUPAC: ethyl 3-[ethoxycarbonyl(furan-2-ylmethyl)amino]propanoate.
Chemical Property Profile of Ethyl 3-[(furan-2-ylmethyl)(ethoxycarbonyl)amino]propanoate
Property Insights of Ethyl 3-[(furan-2-ylmethyl)(ethoxycarbonyl)amino]propanoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[(furan-2-ylmethyl)(ethoxycarbonyl)amino]propanoate. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[(furan-2-ylmethyl)(ethoxycarbonyl)amino]propanoate. Following Lipinski's Rule of Five, Ethyl 3-[(furan-2-ylmethyl)(ethoxycarbonyl)amino]propanoate has 0 hydrogen bond donor(s) and 5 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-[(furan-2-ylmethyl)(ethoxycarbonyl)amino]propanoate?
The CAS number of Ethyl 3-[(furan-2-ylmethyl)(ethoxycarbonyl)amino]propanoate is 7460-39-1.
What is the molecular formula of Ethyl 3-[(furan-2-ylmethyl)(ethoxycarbonyl)amino]propanoate?
The molecular formula of Ethyl 3-[(furan-2-ylmethyl)(ethoxycarbonyl)amino]propanoate is C13H19NO5.
What is the molecular weight of Ethyl 3-[(furan-2-ylmethyl)(ethoxycarbonyl)amino]propanoate?
The molecular weight of Ethyl 3-[(furan-2-ylmethyl)(ethoxycarbonyl)amino]propanoate is 269.13 g/mol.
Where can I buy Ethyl 3-[(furan-2-ylmethyl)(ethoxycarbonyl)amino]propanoate?
You can request a quote for Ethyl 3-[(furan-2-ylmethyl)(ethoxycarbonyl)amino]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[(furan-2-ylmethyl)(ethoxycarbonyl)amino]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(furan-2-ylmethyl)(ethoxycarbonyl)amino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.