Isoxazolidine, 2-(9-azabicyclo(4.2.1)non-2-en-2-ylcarbonyl)-, (1R)-, (E)-2-butenedioate (1:1)
TL;DR: Isoxazolidine, 2-(9-azabicyclo(4.2.1)non-2-en-2-ylcarbonyl)-, (1R)-, (E)-2-butenedioate (1:1) (CAS 125736-30-3) is a chemical compound with molecular formula C16H22N2O6 and molecular weight 338.1478 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-(1,2-oxazolidin-2-yl)methanone;(E)-but-2-enedioic acid
Also Known As: Isoxazolidine, 2-(9-azabicyclo(4.2.1)non-2-en-2-ylcarbonyl)-, (1R)-, (E)-2-butenedioate (1:1), [(6R)-9-azabicyclo[4.2.1]non-4-en-5-yl]-(1,2-oxazolidin-2-yl)methanone; (E)-but-2-enedioic acid, IUPAC: [(6R)-9-azabicyclo[4.2.1]non-4-en-5-yl]-(1,2-oxazolidin-2-yl)methanone; But-2-enedioic Acid
Technical Specifications
| Molecular Formula | C16H22N2O6 |
| Molecular Weight | 338.1478 g/mol |
| XLogP | 0.7029 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.1478 Da |
| Heavy Atoms | 24 |
| Complexity | 446.0 |
| SMILES | C1CN(OC1)C(=O)C2=CCCC3CC[C@H]2N3.C(=C/C(=O)O)\C(=O)O |
| InChIKey | XSMJHFYSRVNWKZ-KEHALWIJSA-N |
Chemical Property Profile of Isoxazolidine, 2-(9-azabicyclo(4.2.1)non-2-en-2-ylcarbonyl)-, (1R)-, (E)-2-butenedioate (1:1)
Property Insights of Isoxazolidine, 2-(9-azabicyclo(4.2.1)non-2-en-2-ylcarbonyl)-, (1R)-, (E)-2-butenedioate (1:1)
The XLogP value of 0.7029 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoxazolidine, 2-(9-azabicyclo(4.2.1)non-2-en-2-ylcarbonyl)-, (1R)-, (E)-2-butenedioate (1:1). The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoxazolidine, 2-(9-azabicyclo(4.2.1)non-2-en-2-ylcarbonyl)-, (1R)-, (E)-2-butenedioate (1:1). Following Lipinski's Rule of Five, Isoxazolidine, 2-(9-azabicyclo(4.2.1)non-2-en-2-ylcarbonyl)-, (1R)-, (E)-2-butenedioate (1:1) has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isoxazolidine, 2-(9-azabicyclo(4.2.1)non-2-en-2-ylcarbonyl)-, (1R)-, (E)-2-butenedioate (1:1)?
The CAS number of Isoxazolidine, 2-(9-azabicyclo(4.2.1)non-2-en-2-ylcarbonyl)-, (1R)-, (E)-2-butenedioate (1:1) is 125736-30-3.
What is the molecular formula of Isoxazolidine, 2-(9-azabicyclo(4.2.1)non-2-en-2-ylcarbonyl)-, (1R)-, (E)-2-butenedioate (1:1)?
The molecular formula of Isoxazolidine, 2-(9-azabicyclo(4.2.1)non-2-en-2-ylcarbonyl)-, (1R)-, (E)-2-butenedioate (1:1) is C16H22N2O6.
What is the molecular weight of Isoxazolidine, 2-(9-azabicyclo(4.2.1)non-2-en-2-ylcarbonyl)-, (1R)-, (E)-2-butenedioate (1:1)?
The molecular weight of Isoxazolidine, 2-(9-azabicyclo(4.2.1)non-2-en-2-ylcarbonyl)-, (1R)-, (E)-2-butenedioate (1:1) is 338.1478 g/mol.
Where can I buy Isoxazolidine, 2-(9-azabicyclo(4.2.1)non-2-en-2-ylcarbonyl)-, (1R)-, (E)-2-butenedioate (1:1)?
You can request a quote for Isoxazolidine, 2-(9-azabicyclo(4.2.1)non-2-en-2-ylcarbonyl)-, (1R)-, (E)-2-butenedioate (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoxazolidine, 2-(9-azabicyclo(4.2.1)non-2-en-2-ylcarbonyl)-, (1R)-, (E)-2-butenedioate (1:1)?
Yes, CoreyChem provides custom synthesis services for Isoxazolidine, 2-(9-azabicyclo(4.2.1)non-2-en-2-ylcarbonyl)-, (1R)-, (E)-2-butenedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.