1-(4-Chlorophenethyl)-5-oxopyrrolidine-3-carboxylic acid
TL;DR: 1-(4-Chlorophenethyl)-5-oxopyrrolidine-3-carboxylic acid (CAS 368870-06-8) is a chemical compound with molecular formula C13H14ClNO3 and molecular weight 267.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
Also Known As: 1-(4-Chlorophenethyl)-5-oxopyrrolidine-3-carboxylic acid, Maybridge3_004495, 1-(4-Chlorophenethyl)-5-oxo-3-pyrrolidinecarboxylic acid, 1-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid, SDCCGMLS-0066159.P001
| Molecular Formula | C13H14ClNO3 |
|---|---|
| Molecular Weight | 267.07 g/mol |
| LogP | 1.8156 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.06622 |
| Heavy Atoms | 18 |
| Complexity | 457.80908 |
Chemical Identifiers
| CAS Number | 368870-06-8 |
|---|---|
| SMILES | C1C(CN(C1=O)CCC2=CC=C(C=C2)Cl)C(=O)O |
Product Overview
1-(4-Chlorophenethyl)-5-oxopyrrolidine-3-carboxylic acid (CAS 368870-06-8), with molecular formula C13H14ClNO3 and molecular weight 267.07 g/mol. IUPAC: 1-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid.
Chemical Property Profile of 1-(4-Chlorophenethyl)-5-oxopyrrolidine-3-carboxylic acid
Property Insights of 1-(4-Chlorophenethyl)-5-oxopyrrolidine-3-carboxylic acid
The XLogP value of 1.8156 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chlorophenethyl)-5-oxopyrrolidine-3-carboxylic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 1-(4-Chlorophenethyl)-5-oxopyrrolidine-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenethyl)-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-Chlorophenethyl)-5-oxopyrrolidine-3-carboxylic acid?
The CAS number of 1-(4-Chlorophenethyl)-5-oxopyrrolidine-3-carboxylic acid is 368870-06-8.
What is the molecular formula of 1-(4-Chlorophenethyl)-5-oxopyrrolidine-3-carboxylic acid?
The molecular formula of 1-(4-Chlorophenethyl)-5-oxopyrrolidine-3-carboxylic acid is C13H14ClNO3.
What is the molecular weight of 1-(4-Chlorophenethyl)-5-oxopyrrolidine-3-carboxylic acid?
The molecular weight of 1-(4-Chlorophenethyl)-5-oxopyrrolidine-3-carboxylic acid is 267.07 g/mol.
Where can I buy 1-(4-Chlorophenethyl)-5-oxopyrrolidine-3-carboxylic acid?
You can request a quote for 1-(4-Chlorophenethyl)-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-Chlorophenethyl)-5-oxopyrrolidine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenethyl)-5-oxopyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.