1-(4-Ethylbenzyl)-5-oxopyrrolidine-3-carboxylic acid
TL;DR: 1-(4-Ethylbenzyl)-5-oxopyrrolidine-3-carboxylic acid (CAS 824981-40-0) 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.
1-[(4-ethylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
Also Known As: 1-(4-ethylbenzyl)-5-oxopyrrolidine-3-carboxylic acid, CHEMBRDG-BB4024759, CHEMBRDG-BB 4024759, 1-[(4-ethylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid, Y-2309
| Molecular Formula | C14H17NO3 |
|---|---|
| Molecular Weight | 247.12 g/mol |
| LogP | 1.6821 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.12085 |
| Heavy Atoms | 18 |
| Complexity | 452.61185 |
Chemical Identifiers
| CAS Number | 824981-40-0 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)O |
Product Overview
1-(4-Ethylbenzyl)-5-oxopyrrolidine-3-carboxylic acid (CAS 824981-40-0), with molecular formula C14H17NO3 and molecular weight 247.12 g/mol. IUPAC: 1-[(4-ethylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid.
Chemical Property Profile of 1-(4-Ethylbenzyl)-5-oxopyrrolidine-3-carboxylic acid
Property Insights of 1-(4-Ethylbenzyl)-5-oxopyrrolidine-3-carboxylic acid
The XLogP value of 1.6821 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Ethylbenzyl)-5-oxopyrrolidine-3-carboxylic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 1-(4-Ethylbenzyl)-5-oxopyrrolidine-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Ethylbenzyl)-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-Ethylbenzyl)-5-oxopyrrolidine-3-carboxylic acid?
The CAS number of 1-(4-Ethylbenzyl)-5-oxopyrrolidine-3-carboxylic acid is 824981-40-0.
What is the molecular formula of 1-(4-Ethylbenzyl)-5-oxopyrrolidine-3-carboxylic acid?
The molecular formula of 1-(4-Ethylbenzyl)-5-oxopyrrolidine-3-carboxylic acid is C14H17NO3.
What is the molecular weight of 1-(4-Ethylbenzyl)-5-oxopyrrolidine-3-carboxylic acid?
The molecular weight of 1-(4-Ethylbenzyl)-5-oxopyrrolidine-3-carboxylic acid is 247.12 g/mol.
Where can I buy 1-(4-Ethylbenzyl)-5-oxopyrrolidine-3-carboxylic acid?
You can request a quote for 1-(4-Ethylbenzyl)-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-Ethylbenzyl)-5-oxopyrrolidine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Ethylbenzyl)-5-oxopyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.