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Ethyl 3-[(ethoxycarbonyl)amino]-3-oxopropanoate
TL;DR: Ethyl 3-[(ethoxycarbonyl)amino]-3-oxopropanoate (CAS 36980-79-7) is a chemical compound with molecular formula C8H13NO5 and molecular weight 203.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(ethoxycarbonylamino)-3-oxopropanoate
Also Known As: N-(2-carbethoxyacetyl)urethane, ethyl 3-[(ethoxycarbonyl)amino]-3-oxopropanoate, ethyl 3-(ethoxycarbonylamino)-3-oxopropanoate, ethyl 3-((ethoxycarbonyl)amino)-3-oxopropanoate
| Molecular Formula | C8H13NO5 |
|---|---|
| Molecular Weight | 203.08 g/mol |
| LogP | 0.2123 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 203.07938 |
| Heavy Atoms | 14 |
| Complexity | 203.77153 |
Chemical Identifiers
| CAS Number | 36980-79-7 |
|---|---|
| SMILES | CCOC(=O)CC(=O)NC(=O)OCC |
Product Overview
Ethyl 3-[(ethoxycarbonyl)amino]-3-oxopropanoate (CAS 36980-79-7), with molecular formula C8H13NO5 and molecular weight 203.08 g/mol. IUPAC: ethyl 3-(ethoxycarbonylamino)-3-oxopropanoate.
Chemical Property Profile of Ethyl 3-[(ethoxycarbonyl)amino]-3-oxopropanoate
Property Insights of Ethyl 3-[(ethoxycarbonyl)amino]-3-oxopropanoate
The XLogP value of 0.2123 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[(ethoxycarbonyl)amino]-3-oxopropanoate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[(ethoxycarbonyl)amino]-3-oxopropanoate. Following Lipinski's Rule of Five, Ethyl 3-[(ethoxycarbonyl)amino]-3-oxopropanoate has 1 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-[(ethoxycarbonyl)amino]-3-oxopropanoate?
The CAS number of Ethyl 3-[(ethoxycarbonyl)amino]-3-oxopropanoate is 36980-79-7.
What is the molecular formula of Ethyl 3-[(ethoxycarbonyl)amino]-3-oxopropanoate?
The molecular formula of Ethyl 3-[(ethoxycarbonyl)amino]-3-oxopropanoate is C8H13NO5.
What is the molecular weight of Ethyl 3-[(ethoxycarbonyl)amino]-3-oxopropanoate?
The molecular weight of Ethyl 3-[(ethoxycarbonyl)amino]-3-oxopropanoate is 203.08 g/mol.
Where can I buy Ethyl 3-[(ethoxycarbonyl)amino]-3-oxopropanoate?
You can request a quote for Ethyl 3-[(ethoxycarbonyl)amino]-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[(ethoxycarbonyl)amino]-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(ethoxycarbonyl)amino]-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.