9-O-tert-Butyl 5-O-methyl 9-azabicyclo(4.2.1)non-4-ene-5,9-dicarboxylate
TL;DR: 9-O-tert-Butyl 5-O-methyl 9-azabicyclo(4.2.1)non-4-ene-5,9-dicarboxylate (CAS 125736-10-9) is a chemical compound with molecular formula C15H23NO4 and molecular weight 281.16272 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-O-tert-butyl 2-O-methyl 9-azabicyclo[4.2.1]non-2-ene-2,9-dicarboxylate
Also Known As: 9-O-tert-Butyl 5-O-methyl 9-azabicyclo(4.2.1)non-4-ene-5,9-dicarboxylate, Tert-butyl Methyl 9-azabicyclo[4.2.1]non-4-ene-5,9-dicarboxylate, 5-O-tert-butyl 9-O-methyl 9-azabicyclo[4.2.1]non-4-ene-5,9-dicarboxylate, 9-O-tert-butyl 5-O-methyl 9-azabicyclo[4.2.1]non-4-ene-5,9-dicarboxylate, 9-TERT-BUTYL 2-METHYL 9-AZABICYCLO[4.2.1]NON-2-ENE-2,9-DICARBOXYLATE
Technical Specifications
| Molecular Formula | C15H23NO4 |
| Molecular Weight | 281.16272 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.16272 Da |
| Heavy Atoms | 20 |
| Complexity | 436.0 |
| SMILES | CC(C)(C)OC(=O)N1C2CCC=C(C1CC2)C(=O)OC |
| InChIKey | JITGNWSWQVOTFK-UHFFFAOYSA-N |
Chemical Property Profile of 9-O-tert-Butyl 5-O-methyl 9-azabicyclo(4.2.1)non-4-ene-5,9-dicarboxylate
Property Insights of 9-O-tert-Butyl 5-O-methyl 9-azabicyclo(4.2.1)non-4-ene-5,9-dicarboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-O-tert-Butyl 5-O-methyl 9-azabicyclo(4.2.1)non-4-ene-5,9-dicarboxylate. With a topological polar surface area (TPSA) of 55.8 Ų, 9-O-tert-Butyl 5-O-methyl 9-azabicyclo(4.2.1)non-4-ene-5,9-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-O-tert-Butyl 5-O-methyl 9-azabicyclo(4.2.1)non-4-ene-5,9-dicarboxylate 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
What is the CAS number of 9-O-tert-Butyl 5-O-methyl 9-azabicyclo(4.2.1)non-4-ene-5,9-dicarboxylate?
The CAS number of 9-O-tert-Butyl 5-O-methyl 9-azabicyclo(4.2.1)non-4-ene-5,9-dicarboxylate is 125736-10-9.
What is the molecular formula of 9-O-tert-Butyl 5-O-methyl 9-azabicyclo(4.2.1)non-4-ene-5,9-dicarboxylate?
The molecular formula of 9-O-tert-Butyl 5-O-methyl 9-azabicyclo(4.2.1)non-4-ene-5,9-dicarboxylate is C15H23NO4.
What is the molecular weight of 9-O-tert-Butyl 5-O-methyl 9-azabicyclo(4.2.1)non-4-ene-5,9-dicarboxylate?
The molecular weight of 9-O-tert-Butyl 5-O-methyl 9-azabicyclo(4.2.1)non-4-ene-5,9-dicarboxylate is 281.16272 g/mol.
Where can I buy 9-O-tert-Butyl 5-O-methyl 9-azabicyclo(4.2.1)non-4-ene-5,9-dicarboxylate?
You can request a quote for 9-O-tert-Butyl 5-O-methyl 9-azabicyclo(4.2.1)non-4-ene-5,9-dicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9-O-tert-Butyl 5-O-methyl 9-azabicyclo(4.2.1)non-4-ene-5,9-dicarboxylate?
Yes, CoreyChem provides custom synthesis services for 9-O-tert-Butyl 5-O-methyl 9-azabicyclo(4.2.1)non-4-ene-5,9-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.