tert-Butyl (R)-6-Cyano-5-hydroxy-3-oxohexanoate
TL;DR: tert-Butyl (R)-6-Cyano-5-hydroxy-3-oxohexanoate (CAS 1259882-70-6) is a chemical compound with molecular formula C11H17NO4 and molecular weight 227.11575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl (5R)-6-cyano-5-hydroxy-3-oxohexanoate
Also Known As: tert-Butyl (R)-6-Cyano-5-hydroxy-3-oxohexanoate, (R)-tert-Butyl 6-cyano-5-hydroxy-3-oxohexanoate, Atorvastatin Impurity 53, Atorvastatin Impurity 65, Atorvastatin Impurity 96
Technical Specifications
| Molecular Formula | C11H17NO4 |
| Molecular Weight | 227.11575 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 87.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 227.11575 Da |
| Heavy Atoms | 16 |
| Complexity | 308.0 |
| SMILES | CC(C)(C)OC(=O)CC(=O)C[C@@H](CC#N)O |
| InChIKey | CCQZKUWBWPJBPY-MRVPVSSYSA-N |
Chemical Property Profile of tert-Butyl (R)-6-Cyano-5-hydroxy-3-oxohexanoate
Property Insights of tert-Butyl (R)-6-Cyano-5-hydroxy-3-oxohexanoate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl (R)-6-Cyano-5-hydroxy-3-oxohexanoate. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-Butyl (R)-6-Cyano-5-hydroxy-3-oxohexanoate. Following Lipinski's Rule of Five, tert-Butyl (R)-6-Cyano-5-hydroxy-3-oxohexanoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of tert-Butyl (R)-6-Cyano-5-hydroxy-3-oxohexanoate?
The CAS number of tert-Butyl (R)-6-Cyano-5-hydroxy-3-oxohexanoate is 1259882-70-6.
What is the molecular formula of tert-Butyl (R)-6-Cyano-5-hydroxy-3-oxohexanoate?
The molecular formula of tert-Butyl (R)-6-Cyano-5-hydroxy-3-oxohexanoate is C11H17NO4.
What is the molecular weight of tert-Butyl (R)-6-Cyano-5-hydroxy-3-oxohexanoate?
The molecular weight of tert-Butyl (R)-6-Cyano-5-hydroxy-3-oxohexanoate is 227.11575 g/mol.
Where can I buy tert-Butyl (R)-6-Cyano-5-hydroxy-3-oxohexanoate?
You can request a quote for tert-Butyl (R)-6-Cyano-5-hydroxy-3-oxohexanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-Butyl (R)-6-Cyano-5-hydroxy-3-oxohexanoate?
Yes, CoreyChem provides custom synthesis services for tert-Butyl (R)-6-Cyano-5-hydroxy-3-oxohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.