Ethyl 2-(ethoxycarbonylamino)-3-oxobutanoate
TL;DR: Ethyl 2-(ethoxycarbonylamino)-3-oxobutanoate (CAS 124576-58-5) is a chemical compound with molecular formula C9H15NO5 and molecular weight 217.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(ethoxycarbonylamino)-3-oxobutanoate
Also Known As: ethyl 2-(ethoxycarbonylamino)-3-oxobutanoate, 1-trimethylsilyl-1-undecyn-3-one, ethyl 2-[(ethoxycarbonyl)amino]-3-oxobutanoate, 2-(Ethoxycarbonylamino)acetoacetic acid ethyl ester, Ethyl 2-(ethoxycarbonylamino)-3-oxo-butanoate
| Molecular Formula | C9H15NO5 |
|---|---|
| Molecular Weight | 217.10 g/mol |
| LogP | 0.2532 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 217.09502 |
| Heavy Atoms | 15 |
| Complexity | 250.88725 |
Chemical Identifiers
| CAS Number | 124576-58-5 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C)NC(=O)OCC |
Product Overview
Ethyl 2-(ethoxycarbonylamino)-3-oxobutanoate (CAS 124576-58-5), with molecular formula C9H15NO5 and molecular weight 217.10 g/mol. IUPAC: ethyl 2-(ethoxycarbonylamino)-3-oxobutanoate.
Chemical Property Profile of Ethyl 2-(ethoxycarbonylamino)-3-oxobutanoate
Property Insights of Ethyl 2-(ethoxycarbonylamino)-3-oxobutanoate
The XLogP value of 0.2532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(ethoxycarbonylamino)-3-oxobutanoate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(ethoxycarbonylamino)-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 2-(ethoxycarbonylamino)-3-oxobutanoate 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 2-(ethoxycarbonylamino)-3-oxobutanoate?
The CAS number of Ethyl 2-(ethoxycarbonylamino)-3-oxobutanoate is 124576-58-5.
What is the molecular formula of Ethyl 2-(ethoxycarbonylamino)-3-oxobutanoate?
The molecular formula of Ethyl 2-(ethoxycarbonylamino)-3-oxobutanoate is C9H15NO5.
What is the molecular weight of Ethyl 2-(ethoxycarbonylamino)-3-oxobutanoate?
The molecular weight of Ethyl 2-(ethoxycarbonylamino)-3-oxobutanoate is 217.10 g/mol.
Where can I buy Ethyl 2-(ethoxycarbonylamino)-3-oxobutanoate?
You can request a quote for Ethyl 2-(ethoxycarbonylamino)-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(ethoxycarbonylamino)-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(ethoxycarbonylamino)-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.