![8-O-ethyl 2-O,3-O-dimethyl 8-azabicyclo[2.2.2]octa-2,5-diene-2,3,8-tricarboxylate structure](/static/products/6258/62587-48-8.webp)
8-O-ethyl 2-O,3-O-dimethyl 8-azabicyclo[2.2.2]octa-2,5-diene-2,3,8-tricarboxylate
TL;DR: 8-O-ethyl 2-O,3-O-dimethyl 8-azabicyclo[2.2.2]octa-2,5-diene-2,3,8-tricarboxylate (CAS 62587-48-8) is a chemical compound with molecular formula C14H17NO6 and molecular weight 295.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-ethyl 5-O,6-O-dimethyl 2-azabicyclo[2.2.2]octa-5,7-diene-2,5,6-tricarboxylate
Also Known As: 8-O-ethyl 2-O,3-O-dimethyl 8-azabicyclo[2.2.2]octa-2,5-diene-2,3,8-tricarboxylate, 8-O-ethyl 2-O,3-O-dimethyl 8-azabicyclo[2.2.2]octa-2,5-diene, 2-Ethyl 5,6-dimethyl 2-azabicyclo[2.2.2]octa-5,7-diene-2,5,6-tricarboxylate
| Molecular Formula | C14H17NO6 |
|---|---|
| Molecular Weight | 295.11 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.1056 |
| Heavy Atoms | 21 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 62587-48-8 |
|---|---|
| SMILES | CCOC(=O)N1CC2C=CC1C(=C2C(=O)OC)C(=O)OC |
| InChIKey | VRUSTUXBNBRNPD-UHFFFAOYSA-N |
Product Overview
8-O-ethyl 2-O,3-O-dimethyl 8-azabicyclo[2.2.2]octa-2,5-diene-2,3,8-tricarboxylate (CAS 62587-48-8), with molecular formula C14H17NO6 and molecular weight 295.11 g/mol. IUPAC: 2-O-ethyl 5-O,6-O-dimethyl 2-azabicyclo[2.2.2]octa-5,7-diene-2,5,6-tricarboxylate.
Chemical Property Profile of 8-O-ethyl 2-O,3-O-dimethyl 8-azabicyclo[2.2.2]octa-2,5-diene-2,3,8-tricarboxylate
Property Insights of 8-O-ethyl 2-O,3-O-dimethyl 8-azabicyclo[2.2.2]octa-2,5-diene-2,3,8-tricarboxylate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-O-ethyl 2-O,3-O-dimethyl 8-azabicyclo[2.2.2]octa-2,5-diene-2,3,8-tricarboxylate. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-O-ethyl 2-O,3-O-dimethyl 8-azabicyclo[2.2.2]octa-2,5-diene-2,3,8-tricarboxylate. Following Lipinski's Rule of Five, 8-O-ethyl 2-O,3-O-dimethyl 8-azabicyclo[2.2.2]octa-2,5-diene-2,3,8-tricarboxylate has 0 hydrogen bond donor(s) and 6 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 8-O-ethyl 2-O,3-O-dimethyl 8-azabicyclo[2.2.2]octa-2,5-diene-2,3,8-tricarboxylate?
The CAS number of 8-O-ethyl 2-O,3-O-dimethyl 8-azabicyclo[2.2.2]octa-2,5-diene-2,3,8-tricarboxylate is 62587-48-8.
What is the molecular formula of 8-O-ethyl 2-O,3-O-dimethyl 8-azabicyclo[2.2.2]octa-2,5-diene-2,3,8-tricarboxylate?
The molecular formula of 8-O-ethyl 2-O,3-O-dimethyl 8-azabicyclo[2.2.2]octa-2,5-diene-2,3,8-tricarboxylate is C14H17NO6.
What is the molecular weight of 8-O-ethyl 2-O,3-O-dimethyl 8-azabicyclo[2.2.2]octa-2,5-diene-2,3,8-tricarboxylate?
The molecular weight of 8-O-ethyl 2-O,3-O-dimethyl 8-azabicyclo[2.2.2]octa-2,5-diene-2,3,8-tricarboxylate is 295.11 g/mol.
Where can I buy 8-O-ethyl 2-O,3-O-dimethyl 8-azabicyclo[2.2.2]octa-2,5-diene-2,3,8-tricarboxylate?
You can request a quote for 8-O-ethyl 2-O,3-O-dimethyl 8-azabicyclo[2.2.2]octa-2,5-diene-2,3,8-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-O-ethyl 2-O,3-O-dimethyl 8-azabicyclo[2.2.2]octa-2,5-diene-2,3,8-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 8-O-ethyl 2-O,3-O-dimethyl 8-azabicyclo[2.2.2]octa-2,5-diene-2,3,8-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.