2-Chlorobenzyl 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
TL;DR: 2-Chlorobenzyl 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate (CAS 774191-67-2) is a chemical compound with molecular formula C20H20ClNO3 and molecular weight 357.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorophenyl)methyl 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
Also Known As: 2-chlorobenzyl 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate, 2-chlorobenzyl 1-(3,5-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxylate, (2-chlorophenyl)methyl 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
| Molecular Formula | C20H20ClNO3 |
|---|---|
| Molecular Weight | 357.11 g/mol |
| LogP | 4.05314 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.11316 |
| Heavy Atoms | 25 |
| Complexity | 798.0886 |
Chemical Identifiers
| CAS Number | 774191-67-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2CC(CC2=O)C(=O)OCC3=CC=CC=C3Cl)C |
Product Overview
2-Chlorobenzyl 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate (CAS 774191-67-2), with molecular formula C20H20ClNO3 and molecular weight 357.11 g/mol. IUPAC: (2-chlorophenyl)methyl 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate.
Chemical Property Profile of 2-Chlorobenzyl 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
Property Insights of 2-Chlorobenzyl 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
The XLogP value of 4.05314 indicates that 2-Chlorobenzyl 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, 2-Chlorobenzyl 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chlorobenzyl 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-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 2-Chlorobenzyl 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The CAS number of 2-Chlorobenzyl 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate is 774191-67-2.
What is the molecular formula of 2-Chlorobenzyl 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The molecular formula of 2-Chlorobenzyl 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate is C20H20ClNO3.
What is the molecular weight of 2-Chlorobenzyl 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The molecular weight of 2-Chlorobenzyl 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate is 357.11 g/mol.
Where can I buy 2-Chlorobenzyl 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate?
You can request a quote for 2-Chlorobenzyl 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chlorobenzyl 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorobenzyl 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.