4-benzoylpyrrolidine-3-carboxylic Acid
TL;DR: 4-benzoylpyrrolidine-3-carboxylic Acid (CAS 885958-83-8) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzoylpyrrolidine-3-carboxylic acid
Also Known As: 4-benzoylpyrrolidine-3-carboxylic Acid, 4-BENZOYL-PYRROLIDINE-3-CARBOXYLIC ACID
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 0.7895 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 401.9847 |
Chemical Identifiers
| CAS Number | 885958-83-8 |
|---|---|
| SMILES | C1C(C(CN1)C(=O)O)C(=O)C2=CC=CC=C2 |
Product Overview
4-benzoylpyrrolidine-3-carboxylic Acid (CAS 885958-83-8), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: 4-benzoylpyrrolidine-3-carboxylic acid.
Chemical Property Profile of 4-benzoylpyrrolidine-3-carboxylic Acid
Property Insights of 4-benzoylpyrrolidine-3-carboxylic Acid
The XLogP value of 0.7895 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-benzoylpyrrolidine-3-carboxylic Acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-benzoylpyrrolidine-3-carboxylic Acid. Following Lipinski's Rule of Five, 4-benzoylpyrrolidine-3-carboxylic Acid has 2 hydrogen bond donor(s) and 3 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 4-benzoylpyrrolidine-3-carboxylic Acid?
The CAS number of 4-benzoylpyrrolidine-3-carboxylic Acid is 885958-83-8.
What is the molecular formula of 4-benzoylpyrrolidine-3-carboxylic Acid?
The molecular formula of 4-benzoylpyrrolidine-3-carboxylic Acid is C12H13NO3.
What is the molecular weight of 4-benzoylpyrrolidine-3-carboxylic Acid?
The molecular weight of 4-benzoylpyrrolidine-3-carboxylic Acid is 219.09 g/mol.
Where can I buy 4-benzoylpyrrolidine-3-carboxylic Acid?
You can request a quote for 4-benzoylpyrrolidine-3-carboxylic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-benzoylpyrrolidine-3-carboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-benzoylpyrrolidine-3-carboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.