![ethyl (1R,2R,3S,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate structure](/static/products/7093/70939-97-8.webp)
ethyl (1R,2R,3S,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
TL;DR: ethyl (1R,2R,3S,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate (CAS 70939-97-8) is a chemical compound with molecular formula C11H19NO3 and molecular weight 213.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (1R,2R,3S,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Also Known As: Ethylecgonine, Ethyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate, ethyl (1R,2R,3S,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate, ethyl (1R,3S,4R,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
| Molecular Formula | C11H19NO3 |
|---|---|
| Molecular Weight | 213.14 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.13649 |
| Heavy Atoms | 15 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 70939-97-8 |
|---|---|
| SMILES | CCOC(=O)[C@@H]1[C@H]2CC[C@@H](N2C)C[C@@H]1O |
| InChIKey | ABDMBNAKYBUEEX-DOLQZWNJSA-N |
Product Overview
ethyl (1R,2R,3S,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate (CAS 70939-97-8), with molecular formula C11H19NO3 and molecular weight 213.14 g/mol. IUPAC: ethyl (1R,2R,3S,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate.
Chemical Property Profile of ethyl (1R,2R,3S,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Property Insights of ethyl (1R,2R,3S,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (1R,2R,3S,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate. With a topological polar surface area (TPSA) of 49.8 Ų, ethyl (1R,2R,3S,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (1R,2R,3S,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-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
Frequently Asked Questions
What is the CAS number of ethyl (1R,2R,3S,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate?
The CAS number of ethyl (1R,2R,3S,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate is 70939-97-8.
What is the molecular formula of ethyl (1R,2R,3S,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate?
The molecular formula of ethyl (1R,2R,3S,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate is C11H19NO3.
What is the molecular weight of ethyl (1R,2R,3S,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate?
The molecular weight of ethyl (1R,2R,3S,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate is 213.14 g/mol.
Where can I buy ethyl (1R,2R,3S,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate?
You can request a quote for ethyl (1R,2R,3S,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (1R,2R,3S,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (1R,2R,3S,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.