3-(Pyrrolidin-1-yl)benzoic acid
TL;DR: 3-(Pyrrolidin-1-yl)benzoic acid (CAS 3420-02-8) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyrrolidin-1-ylbenzoic acid
Also Known As: 3-(pyrrolidin-1-yl)benzoic acid, 3-Pyrrolidin-1-yl-benzoic acid, 3-pyrrolidin-1-ylbenzoic acid, 3-(1-pyrrolidinyl)benzoic acid, 6-Methylindole
| Molecular Formula | C11H13NO2 |
|---|---|
| Molecular Weight | 191.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.09464 |
| Heavy Atoms | 14 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 3420-02-8 |
|---|---|
| SMILES | C1CCN(C1)C2=CC=CC(=C2)C(=O)O |
| InChIKey | HRVWGEKZONYEMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Pyrrolidin-1-yl)benzoic acid (CAS 3420-02-8), with molecular formula C11H13NO2 and molecular weight 191.09 g/mol. IUPAC: 3-pyrrolidin-1-ylbenzoic acid.
Chemical Property Profile of 3-(Pyrrolidin-1-yl)benzoic acid
Property Insights of 3-(Pyrrolidin-1-yl)benzoic acid
The XLogP value of 3.1 indicates that 3-(Pyrrolidin-1-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 3-(Pyrrolidin-1-yl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Pyrrolidin-1-yl)benzoic acid has 1 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 3-(Pyrrolidin-1-yl)benzoic acid?
The CAS number of 3-(Pyrrolidin-1-yl)benzoic acid is 3420-02-8.
What is the molecular formula of 3-(Pyrrolidin-1-yl)benzoic acid?
The molecular formula of 3-(Pyrrolidin-1-yl)benzoic acid is C11H13NO2.
What is the molecular weight of 3-(Pyrrolidin-1-yl)benzoic acid?
The molecular weight of 3-(Pyrrolidin-1-yl)benzoic acid is 191.09 g/mol.
Where can I buy 3-(Pyrrolidin-1-yl)benzoic acid?
You can request a quote for 3-(Pyrrolidin-1-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Pyrrolidin-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Pyrrolidin-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.