Ethyl diazoacetoacetate
TL;DR: Ethyl diazoacetoacetate (CAS 2009-97-4) is a chemical compound with molecular formula C6H8N2O3 and molecular weight 156.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-diazo-3-oxobutanoate
Also Known As: Ethyl diazoacetoacetate, ethyl 2-diazo-3-oxobutanoate, Ethyl 2-diazoacetoacetate, Butanoic acid, 2-diazo-3-oxo-, ethyl ester, ETHYLDIAZOACETOACETATE
| Molecular Formula | C6H8N2O3 |
|---|---|
| Molecular Weight | 156.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 45.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 156.0535 |
| Heavy Atoms | 11 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 2009-97-4 |
|---|---|
| SMILES | CCOC(=O)C(=[N+]=[N-])C(=O)C |
| InChIKey | JWTPSIXYXYNAOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl diazoacetoacetate (CAS 2009-97-4), with molecular formula C6H8N2O3 and molecular weight 156.05 g/mol. IUPAC: ethyl 2-diazo-3-oxobutanoate.
Chemical Property Profile of Ethyl diazoacetoacetate
Property Insights of Ethyl diazoacetoacetate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl diazoacetoacetate. With a topological polar surface area (TPSA) of 45.4 Ų, Ethyl diazoacetoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl diazoacetoacetate has 0 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 Ethyl diazoacetoacetate?
The CAS number of Ethyl diazoacetoacetate is 2009-97-4.
What is the molecular formula of Ethyl diazoacetoacetate?
The molecular formula of Ethyl diazoacetoacetate is C6H8N2O3.
What is the molecular weight of Ethyl diazoacetoacetate?
The molecular weight of Ethyl diazoacetoacetate is 156.05 g/mol.
Where can I buy Ethyl diazoacetoacetate?
You can request a quote for Ethyl diazoacetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl diazoacetoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl diazoacetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.