1-(2-Isopropylphenyl)-5-oxopyrrolidine-3-carboxylic acid
TL;DR: 1-(2-Isopropylphenyl)-5-oxopyrrolidine-3-carboxylic acid (CAS 63675-14-9) is a chemical compound with molecular formula C14H17NO3 and molecular weight 247.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid
Also Known As: 1-(2-ISOPROPYLPHENYL)-5-OXOPYRROLIDINE-3-CARBOXYLIC ACID, BAS 01155487, 5-oxo-1-[2-(propan-2-yl)phenyl]pyrrolidine-3-carboxylic acid, 1-(2-Isopropyl-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid, 5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid
| Molecular Formula | C14H17NO3 |
|---|---|
| Molecular Weight | 247.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.12085 |
| Heavy Atoms | 18 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 63675-14-9 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1N2CC(CC2=O)C(=O)O |
| InChIKey | FBUFPMCSGREAOI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Isopropylphenyl)-5-oxopyrrolidine-3-carboxylic acid (CAS 63675-14-9), with molecular formula C14H17NO3 and molecular weight 247.12 g/mol. IUPAC: 5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid.
Chemical Property Profile of 1-(2-Isopropylphenyl)-5-oxopyrrolidine-3-carboxylic acid
Property Insights of 1-(2-Isopropylphenyl)-5-oxopyrrolidine-3-carboxylic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Isopropylphenyl)-5-oxopyrrolidine-3-carboxylic acid. With a topological polar surface area (TPSA) of 57.6 Ų, 1-(2-Isopropylphenyl)-5-oxopyrrolidine-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Isopropylphenyl)-5-oxopyrrolidine-3-carboxylic 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 1-(2-Isopropylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The CAS number of 1-(2-Isopropylphenyl)-5-oxopyrrolidine-3-carboxylic acid is 63675-14-9.
What is the molecular formula of 1-(2-Isopropylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The molecular formula of 1-(2-Isopropylphenyl)-5-oxopyrrolidine-3-carboxylic acid is C14H17NO3.
What is the molecular weight of 1-(2-Isopropylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The molecular weight of 1-(2-Isopropylphenyl)-5-oxopyrrolidine-3-carboxylic acid is 247.12 g/mol.
Where can I buy 1-(2-Isopropylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
You can request a quote for 1-(2-Isopropylphenyl)-5-oxopyrrolidine-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 1-(2-Isopropylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Isopropylphenyl)-5-oxopyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.