![Methyl 5,7-dimethyl-4,6-dioxo-1-azatricyclo[3.3.1.13,7]decane-3-carboxylate structure](/static/products/857/85705-26-6.png)
Methyl 5,7-dimethyl-4,6-dioxo-1-azatricyclo[3.3.1.13,7]decane-3-carboxylate
TL;DR: Methyl 5,7-dimethyl-4,6-dioxo-1-azatricyclo[3.3.1.13,7]decane-3-carboxylate (CAS 85705-26-6) is a chemical compound with molecular formula C13H17NO4 and molecular weight 251.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5,7-dimethyl-4,6-dioxo-1-azatricyclo[3.3.1.13,7]decane-3-carboxylate
Also Known As: 5,7-Dimethyl-4,6-dioxo-1-azaadamantan-3-carbonsaeure-methyle, Methyl 5,7-dimethyl-4,6-dioxo-1-azatricyclo[3.3.1.1~3,7~]decane-3-carboxylate, Methyl 5,7-dimethyl-4,6-dioxo-1-azatricyclo[3.3.1.13,7]decane-3-carboxylate
| Molecular Formula | C13H17NO4 |
|---|---|
| Molecular Weight | 251.12 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.11575 |
| Heavy Atoms | 18 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 85705-26-6 |
|---|---|
| SMILES | CC12CC3(CN(C1)CC(C2=O)(C3=O)C)C(=O)OC |
| InChIKey | TZURNYPYPFEWOT-UHFFFAOYSA-N |
Product Overview
Methyl 5,7-dimethyl-4,6-dioxo-1-azatricyclo[3.3.1.13,7]decane-3-carboxylate (CAS 85705-26-6), with molecular formula C13H17NO4 and molecular weight 251.12 g/mol. IUPAC: methyl 5,7-dimethyl-4,6-dioxo-1-azatricyclo[3.3.1.13,7]decane-3-carboxylate.
Chemical Property Profile of Methyl 5,7-dimethyl-4,6-dioxo-1-azatricyclo[3.3.1.13,7]decane-3-carboxylate
Property Insights of Methyl 5,7-dimethyl-4,6-dioxo-1-azatricyclo[3.3.1.13,7]decane-3-carboxylate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5,7-dimethyl-4,6-dioxo-1-azatricyclo[3.3.1.13,7]decane-3-carboxylate. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5,7-dimethyl-4,6-dioxo-1-azatricyclo[3.3.1.13,7]decane-3-carboxylate. Following Lipinski's Rule of Five, Methyl 5,7-dimethyl-4,6-dioxo-1-azatricyclo[3.3.1.13,7]decane-3-carboxylate 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 Methyl 5,7-dimethyl-4,6-dioxo-1-azatricyclo[3.3.1.13,7]decane-3-carboxylate?
The CAS number of Methyl 5,7-dimethyl-4,6-dioxo-1-azatricyclo[3.3.1.13,7]decane-3-carboxylate is 85705-26-6.
What is the molecular formula of Methyl 5,7-dimethyl-4,6-dioxo-1-azatricyclo[3.3.1.13,7]decane-3-carboxylate?
The molecular formula of Methyl 5,7-dimethyl-4,6-dioxo-1-azatricyclo[3.3.1.13,7]decane-3-carboxylate is C13H17NO4.
What is the molecular weight of Methyl 5,7-dimethyl-4,6-dioxo-1-azatricyclo[3.3.1.13,7]decane-3-carboxylate?
The molecular weight of Methyl 5,7-dimethyl-4,6-dioxo-1-azatricyclo[3.3.1.13,7]decane-3-carboxylate is 251.12 g/mol.
Where can I buy Methyl 5,7-dimethyl-4,6-dioxo-1-azatricyclo[3.3.1.13,7]decane-3-carboxylate?
You can request a quote for Methyl 5,7-dimethyl-4,6-dioxo-1-azatricyclo[3.3.1.13,7]decane-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5,7-dimethyl-4,6-dioxo-1-azatricyclo[3.3.1.13,7]decane-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5,7-dimethyl-4,6-dioxo-1-azatricyclo[3.3.1.13,7]decane-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.