![ethyl 2-[dimethyl(oxo)[?]yl]-2-oxo-acetate structure](/static/products/6957/6957-80-8.webp)
ethyl 2-[dimethyl(oxo)[?]yl]-2-oxo-acetate
TL;DR: ethyl 2-[dimethyl(oxo)[?]yl]-2-oxo-acetate (CAS 6957-80-8) is a chemical compound with molecular formula C17H19NO5 and molecular weight 317.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(9,10-dimethyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-12-yl)-2-oxoacetate
Also Known As: ethyl 2-[dimethyl(oxo)[?]yl]-2-oxo-acetate, AB00091949-01, Ethyl (2,3-dimethyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocin-5-yl)(oxo)acetate, ethyl(2,3-dimethyl-4-oxo-3,4,5,6-tetrahydro-2h-2,6-methano-1,3-benzoxazocin-5-yl)(oxo)acetate, Ethyl 2-(2,3-dimethyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methanobenzo[g][1,3]oxazocin-5-yl)-2-oxoacetate
| Molecular Formula | C17H19NO5 |
|---|---|
| Molecular Weight | 317.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.1263 |
| Heavy Atoms | 23 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 6957-80-8 |
|---|---|
| SMILES | CCOC(=O)C(=O)C1C2CC(N(C1=O)C)(OC3=CC=CC=C23)C |
| InChIKey | LVSHFNNPADHXDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl 2-[dimethyl(oxo)[?]yl]-2-oxo-acetate (CAS 6957-80-8), with molecular formula C17H19NO5 and molecular weight 317.13 g/mol. IUPAC: ethyl 2-(9,10-dimethyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-12-yl)-2-oxoacetate.
Chemical Property Profile of ethyl 2-[dimethyl(oxo)[?]yl]-2-oxo-acetate
Property Insights of ethyl 2-[dimethyl(oxo)[?]yl]-2-oxo-acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[dimethyl(oxo)[?]yl]-2-oxo-acetate. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[dimethyl(oxo)[?]yl]-2-oxo-acetate. Following Lipinski's Rule of Five, ethyl 2-[dimethyl(oxo)[?]yl]-2-oxo-acetate 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 2-[dimethyl(oxo)[?]yl]-2-oxo-acetate?
The CAS number of ethyl 2-[dimethyl(oxo)[?]yl]-2-oxo-acetate is 6957-80-8.
What is the molecular formula of ethyl 2-[dimethyl(oxo)[?]yl]-2-oxo-acetate?
The molecular formula of ethyl 2-[dimethyl(oxo)[?]yl]-2-oxo-acetate is C17H19NO5.
What is the molecular weight of ethyl 2-[dimethyl(oxo)[?]yl]-2-oxo-acetate?
The molecular weight of ethyl 2-[dimethyl(oxo)[?]yl]-2-oxo-acetate is 317.13 g/mol.
Where can I buy ethyl 2-[dimethyl(oxo)[?]yl]-2-oxo-acetate?
You can request a quote for ethyl 2-[dimethyl(oxo)[?]yl]-2-oxo-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[dimethyl(oxo)[?]yl]-2-oxo-acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[dimethyl(oxo)[?]yl]-2-oxo-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.