(2-Oxo-2-pyrrolidin-1-ylethyl) 2,6-dichlorobenzoate
TL;DR: (2-Oxo-2-pyrrolidin-1-ylethyl) 2,6-dichlorobenzoate (CAS 473890-63-0) is a chemical compound with molecular formula C13H13Cl2NO3 and molecular weight 301.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxo-2-pyrrolidin-1-ylethyl) 2,6-dichlorobenzoate
Also Known As: (2-oxo-2-pyrrolidin-1-ylethyl) 2,6-dichlorobenzoate, 2-oxo-2-(pyrrolidin-1-yl)ethyl 2,6-dichlorobenzoate
| Molecular Formula | C13H13Cl2NO3 |
|---|---|
| Molecular Weight | 301.03 g/mol |
| LogP | 2.7726 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.02725 |
| Heavy Atoms | 19 |
| Complexity | 478.41174 |
Chemical Identifiers
| CAS Number | 473890-63-0 |
|---|---|
| SMILES | C1CCN(C1)C(=O)COC(=O)C2=C(C=CC=C2Cl)Cl |
Product Overview
(2-Oxo-2-pyrrolidin-1-ylethyl) 2,6-dichlorobenzoate (CAS 473890-63-0), with molecular formula C13H13Cl2NO3 and molecular weight 301.03 g/mol. IUPAC: (2-oxo-2-pyrrolidin-1-ylethyl) 2,6-dichlorobenzoate.
Chemical Property Profile of (2-Oxo-2-pyrrolidin-1-ylethyl) 2,6-dichlorobenzoate
Property Insights of (2-Oxo-2-pyrrolidin-1-ylethyl) 2,6-dichlorobenzoate
The XLogP value of 2.7726 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Oxo-2-pyrrolidin-1-ylethyl) 2,6-dichlorobenzoate. With a topological polar surface area (TPSA) of 46.61 Ų, (2-Oxo-2-pyrrolidin-1-ylethyl) 2,6-dichlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Oxo-2-pyrrolidin-1-ylethyl) 2,6-dichlorobenzoate 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-Oxo-2-pyrrolidin-1-ylethyl) 2,6-dichlorobenzoate?
The CAS number of (2-Oxo-2-pyrrolidin-1-ylethyl) 2,6-dichlorobenzoate is 473890-63-0.
What is the molecular formula of (2-Oxo-2-pyrrolidin-1-ylethyl) 2,6-dichlorobenzoate?
The molecular formula of (2-Oxo-2-pyrrolidin-1-ylethyl) 2,6-dichlorobenzoate is C13H13Cl2NO3.
What is the molecular weight of (2-Oxo-2-pyrrolidin-1-ylethyl) 2,6-dichlorobenzoate?
The molecular weight of (2-Oxo-2-pyrrolidin-1-ylethyl) 2,6-dichlorobenzoate is 301.03 g/mol.
Where can I buy (2-Oxo-2-pyrrolidin-1-ylethyl) 2,6-dichlorobenzoate?
You can request a quote for (2-Oxo-2-pyrrolidin-1-ylethyl) 2,6-dichlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Oxo-2-pyrrolidin-1-ylethyl) 2,6-dichlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Oxo-2-pyrrolidin-1-ylethyl) 2,6-dichlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.