4-Chlorobenzyl-2-pyrrolidone-5-carboxylate
TL;DR: 4-Chlorobenzyl-2-pyrrolidone-5-carboxylate (CAS 124277-34-5) is a chemical compound with molecular formula C12H11ClNO3- and molecular weight 252.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate
Also Known As: Knp 012, 4-Chlorobenzyl-2-pyrrolidone-5-carboxylate, 1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate, RefChem:98561
| Molecular Formula | C12H11ClNO3- |
|---|---|
| Molecular Weight | 252.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.04274 |
| Heavy Atoms | 17 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 124277-34-5 |
|---|---|
| SMILES | C1CC(=O)N(C1C(=O)[O-])CC2=CC=C(C=C2)Cl |
| InChIKey | BCZYCMUPDFSLAA-UHFFFAOYSA-M |
Product Overview
4-Chlorobenzyl-2-pyrrolidone-5-carboxylate (CAS 124277-34-5), with molecular formula C12H11ClNO3- and molecular weight 252.04 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate.
Chemical Property Profile of 4-Chlorobenzyl-2-pyrrolidone-5-carboxylate
Property Insights of 4-Chlorobenzyl-2-pyrrolidone-5-carboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorobenzyl-2-pyrrolidone-5-carboxylate. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chlorobenzyl-2-pyrrolidone-5-carboxylate. Following Lipinski's Rule of Five, 4-Chlorobenzyl-2-pyrrolidone-5-carboxylate has 0 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 4-Chlorobenzyl-2-pyrrolidone-5-carboxylate?
The CAS number of 4-Chlorobenzyl-2-pyrrolidone-5-carboxylate is 124277-34-5.
What is the molecular formula of 4-Chlorobenzyl-2-pyrrolidone-5-carboxylate?
The molecular formula of 4-Chlorobenzyl-2-pyrrolidone-5-carboxylate is C12H11ClNO3-.
What is the molecular weight of 4-Chlorobenzyl-2-pyrrolidone-5-carboxylate?
The molecular weight of 4-Chlorobenzyl-2-pyrrolidone-5-carboxylate is 252.04 g/mol.
Where can I buy 4-Chlorobenzyl-2-pyrrolidone-5-carboxylate?
You can request a quote for 4-Chlorobenzyl-2-pyrrolidone-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobenzyl-2-pyrrolidone-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobenzyl-2-pyrrolidone-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.