1-(4-Sec-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid
TL;DR: 1-(4-Sec-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid (CAS 63674-58-8) is a chemical compound with molecular formula C15H19NO3 and molecular weight 261.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-butan-2-ylphenyl)-5-oxopyrrolidine-3-carboxylic acid
Also Known As: 1-(4-sec-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid, BAS 04900440, 1-[4-(butan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid, 1-(4-butan-2-ylphenyl)-5-oxopyrrolidine-3-carboxylic acid, 1-(4-(sec-Butyl)phenyl)-5-oxopyrrolidine-3-carboxylic acid
| Molecular Formula | C15H19NO3 |
|---|---|
| Molecular Weight | 261.14 g/mol |
| LogP | 2.6376 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.1365 |
| Heavy Atoms | 19 |
| Complexity | 480.66898 |
Chemical Identifiers
| CAS Number | 63674-58-8 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)N2CC(CC2=O)C(=O)O |
Product Overview
1-(4-Sec-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid (CAS 63674-58-8), with molecular formula C15H19NO3 and molecular weight 261.14 g/mol. IUPAC: 1-(4-butan-2-ylphenyl)-5-oxopyrrolidine-3-carboxylic acid.
Chemical Property Profile of 1-(4-Sec-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid
Property Insights of 1-(4-Sec-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid
The XLogP value of 2.6376 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Sec-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 1-(4-Sec-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Sec-butylphenyl)-5-oxopyrrolidine-3-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 1-(4-Sec-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The CAS number of 1-(4-Sec-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid is 63674-58-8.
What is the molecular formula of 1-(4-Sec-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The molecular formula of 1-(4-Sec-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid is C15H19NO3.
What is the molecular weight of 1-(4-Sec-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The molecular weight of 1-(4-Sec-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid is 261.14 g/mol.
Where can I buy 1-(4-Sec-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
You can request a quote for 1-(4-Sec-butylphenyl)-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-(4-Sec-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Sec-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.