(3S)-methyl 3-hydroxyquinuclidine-3-carboxylate
TL;DR: (3S)-methyl 3-hydroxyquinuclidine-3-carboxylate (CAS 1212404-09-5) is a chemical compound with molecular formula C9H15NO3 and molecular weight 185.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (3S)-3-hydroxy-1-azabicyclo[2.2.2]octane-3-carboxylate
Also Known As: 3-Hydroxy-3-carbmethoxyquinuclidine, (3S)-methyl 3-hydroxyquinuclidine-3-carboxylate, methyl (3S)-3-hydroxy-1-azabicyclo[2.2.2]octane-3-carboxylate
Technical Specifications
| Molecular Formula | C9H15NO3 |
| Molecular Weight | 185.1052 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.1052 Da |
| Heavy Atoms | 13 |
| Complexity | 223.0 |
| SMILES | COC(=O)[C@]1(CN2CCC1CC2)O |
| InChIKey | DZIUKONHUZHETE-SECBINFHSA-N |
Chemical Property Profile of (3S)-methyl 3-hydroxyquinuclidine-3-carboxylate
Property Insights of (3S)-methyl 3-hydroxyquinuclidine-3-carboxylate
The XLogP value of -0.1 indicates that (3S)-methyl 3-hydroxyquinuclidine-3-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.8 Ų, (3S)-methyl 3-hydroxyquinuclidine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S)-methyl 3-hydroxyquinuclidine-3-carboxylate has 1 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 (3S)-methyl 3-hydroxyquinuclidine-3-carboxylate?
The CAS number of (3S)-methyl 3-hydroxyquinuclidine-3-carboxylate is 1212404-09-5.
What is the molecular formula of (3S)-methyl 3-hydroxyquinuclidine-3-carboxylate?
The molecular formula of (3S)-methyl 3-hydroxyquinuclidine-3-carboxylate is C9H15NO3.
What is the molecular weight of (3S)-methyl 3-hydroxyquinuclidine-3-carboxylate?
The molecular weight of (3S)-methyl 3-hydroxyquinuclidine-3-carboxylate is 185.1052 g/mol.
Where can I buy (3S)-methyl 3-hydroxyquinuclidine-3-carboxylate?
You can request a quote for (3S)-methyl 3-hydroxyquinuclidine-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3S)-methyl 3-hydroxyquinuclidine-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for (3S)-methyl 3-hydroxyquinuclidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.