![3-(Pyrrolidinylcarbonyl)bicyclo[2.2.2]octane-2-carboxylic acid structure](/static/products/904/904794-82-7.png)
3-(Pyrrolidinylcarbonyl)bicyclo[2.2.2]octane-2-carboxylic acid
TL;DR: 3-(Pyrrolidinylcarbonyl)bicyclo[2.2.2]octane-2-carboxylic acid (CAS 904794-82-7) is a chemical compound with molecular formula C14H21NO3 and molecular weight 251.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(pyrrolidine-1-carbonyl)bicyclo[2.2.2]octane-2-carboxylic acid
Also Known As: 3-(pyrrolidinylcarbonyl)bicyclo[2.2.2]octane-2-carboxylic acid, 2-(pyrrolidine-1-carbonyl)bicyclo[2.2.2]octane-3-carboxylic acid, 3-(pyrrolidin-1-ylcarbonyl)bicyclo[2.2.2]octane-2-carboxylic acid, 7-(pyrrolidine-1-carbonyl)bicyclo[2.2.2]octane-8-carboxylic Acid, 3-(1-PYRROLIDINYLCARBONYL)BICYCLO[2.2.2]OCTANE-2-CARBOXYLIC ACID
| Molecular Formula | C14H21NO3 |
|---|---|
| Molecular Weight | 251.15 g/mol |
| LogP | 1.7458 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.15215 |
| Heavy Atoms | 18 |
| Complexity | 354.0506 |
Chemical Identifiers
| CAS Number | 904794-82-7 |
|---|---|
| SMILES | C1CCN(C1)C(=O)C2C3CCC(C2C(=O)O)CC3 |
Product Overview
3-(Pyrrolidinylcarbonyl)bicyclo[2.2.2]octane-2-carboxylic acid (CAS 904794-82-7), with molecular formula C14H21NO3 and molecular weight 251.15 g/mol. IUPAC: 3-(pyrrolidine-1-carbonyl)bicyclo[2.2.2]octane-2-carboxylic acid.
Chemical Property Profile of 3-(Pyrrolidinylcarbonyl)bicyclo[2.2.2]octane-2-carboxylic acid
Property Insights of 3-(Pyrrolidinylcarbonyl)bicyclo[2.2.2]octane-2-carboxylic acid
The XLogP value of 1.7458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Pyrrolidinylcarbonyl)bicyclo[2.2.2]octane-2-carboxylic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 3-(Pyrrolidinylcarbonyl)bicyclo[2.2.2]octane-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Pyrrolidinylcarbonyl)bicyclo[2.2.2]octane-2-carboxylic acid has 1 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 3-(Pyrrolidinylcarbonyl)bicyclo[2.2.2]octane-2-carboxylic acid?
The CAS number of 3-(Pyrrolidinylcarbonyl)bicyclo[2.2.2]octane-2-carboxylic acid is 904794-82-7.
What is the molecular formula of 3-(Pyrrolidinylcarbonyl)bicyclo[2.2.2]octane-2-carboxylic acid?
The molecular formula of 3-(Pyrrolidinylcarbonyl)bicyclo[2.2.2]octane-2-carboxylic acid is C14H21NO3.
What is the molecular weight of 3-(Pyrrolidinylcarbonyl)bicyclo[2.2.2]octane-2-carboxylic acid?
The molecular weight of 3-(Pyrrolidinylcarbonyl)bicyclo[2.2.2]octane-2-carboxylic acid is 251.15 g/mol.
Where can I buy 3-(Pyrrolidinylcarbonyl)bicyclo[2.2.2]octane-2-carboxylic acid?
You can request a quote for 3-(Pyrrolidinylcarbonyl)bicyclo[2.2.2]octane-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Pyrrolidinylcarbonyl)bicyclo[2.2.2]octane-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Pyrrolidinylcarbonyl)bicyclo[2.2.2]octane-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.