2-Azabicyclo(3.2.1)octane-2-carboxylic acid methyl ester
TL;DR: 2-Azabicyclo(3.2.1)octane-2-carboxylic acid methyl ester (CAS 71017-44-2) is a chemical compound with molecular formula C9H15NO2 and molecular weight 169.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-azabicyclo[3.2.1]octane-2-carboxylate
Also Known As: 2-Azabicyclo(3.2.1)octane-2-carboxylic acid methyl ester, methyl2-azabicyclo[3.2.1]octane-2-carboxylate, methyl 4-azabicyclo[3.2.1]octane-4-carboxylate, METHYL 2-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLATE, 2-Azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
| Molecular Formula | C9H15NO2 |
|---|---|
| Molecular Weight | 169.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.11028 |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 71017-44-2 |
|---|---|
| SMILES | COC(=O)N1CCC2CCC1C2 |
| InChIKey | FURCFADBKVRCCW-UHFFFAOYSA-N |
Product Overview
2-Azabicyclo(3.2.1)octane-2-carboxylic acid methyl ester (CAS 71017-44-2), with molecular formula C9H15NO2 and molecular weight 169.11 g/mol. IUPAC: methyl 2-azabicyclo[3.2.1]octane-2-carboxylate.
Chemical Property Profile of 2-Azabicyclo(3.2.1)octane-2-carboxylic acid methyl ester
Property Insights of 2-Azabicyclo(3.2.1)octane-2-carboxylic acid methyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Azabicyclo(3.2.1)octane-2-carboxylic acid methyl ester. With a topological polar surface area (TPSA) of 29.5 Ų, 2-Azabicyclo(3.2.1)octane-2-carboxylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Azabicyclo(3.2.1)octane-2-carboxylic acid methyl ester has 0 hydrogen bond donor(s) and 2 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 2-Azabicyclo(3.2.1)octane-2-carboxylic acid methyl ester?
The CAS number of 2-Azabicyclo(3.2.1)octane-2-carboxylic acid methyl ester is 71017-44-2.
What is the molecular formula of 2-Azabicyclo(3.2.1)octane-2-carboxylic acid methyl ester?
The molecular formula of 2-Azabicyclo(3.2.1)octane-2-carboxylic acid methyl ester is C9H15NO2.
What is the molecular weight of 2-Azabicyclo(3.2.1)octane-2-carboxylic acid methyl ester?
The molecular weight of 2-Azabicyclo(3.2.1)octane-2-carboxylic acid methyl ester is 169.11 g/mol.
Where can I buy 2-Azabicyclo(3.2.1)octane-2-carboxylic acid methyl ester?
You can request a quote for 2-Azabicyclo(3.2.1)octane-2-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Azabicyclo(3.2.1)octane-2-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Azabicyclo(3.2.1)octane-2-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.