(2-Oxo-2-pyrrolidin-1-ylethyl) 4-chloro-3-nitrobenzoate
TL;DR: (2-Oxo-2-pyrrolidin-1-ylethyl) 4-chloro-3-nitrobenzoate (CAS 380560-52-1) is a chemical compound with molecular formula C13H13ClN2O5 and molecular weight 312.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxo-2-pyrrolidin-1-ylethyl) 4-chloro-3-nitrobenzoate
Also Known As: (2-oxo-2-pyrrolidin-1-ylethyl) 4-chloro-3-nitrobenzoate, 2-oxo-2-(pyrrolidin-1-yl)ethyl 4-chloro-3-nitrobenzoate
| Molecular Formula | C13H13ClN2O5 |
|---|---|
| Molecular Weight | 312.05 g/mol |
| LogP | 2.0274 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.0513 |
| Heavy Atoms | 21 |
| Complexity | 583.9244 |
Chemical Identifiers
| CAS Number | 380560-52-1 |
|---|---|
| SMILES | C1CCN(C1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
(2-Oxo-2-pyrrolidin-1-ylethyl) 4-chloro-3-nitrobenzoate (CAS 380560-52-1), with molecular formula C13H13ClN2O5 and molecular weight 312.05 g/mol. IUPAC: (2-oxo-2-pyrrolidin-1-ylethyl) 4-chloro-3-nitrobenzoate.
Chemical Property Profile of (2-Oxo-2-pyrrolidin-1-ylethyl) 4-chloro-3-nitrobenzoate
Property Insights of (2-Oxo-2-pyrrolidin-1-ylethyl) 4-chloro-3-nitrobenzoate
The XLogP value of 2.0274 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Oxo-2-pyrrolidin-1-ylethyl) 4-chloro-3-nitrobenzoate. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Oxo-2-pyrrolidin-1-ylethyl) 4-chloro-3-nitrobenzoate. Following Lipinski's Rule of Five, (2-Oxo-2-pyrrolidin-1-ylethyl) 4-chloro-3-nitrobenzoate has 0 hydrogen bond donor(s) and 5 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) 4-chloro-3-nitrobenzoate?
The CAS number of (2-Oxo-2-pyrrolidin-1-ylethyl) 4-chloro-3-nitrobenzoate is 380560-52-1.
What is the molecular formula of (2-Oxo-2-pyrrolidin-1-ylethyl) 4-chloro-3-nitrobenzoate?
The molecular formula of (2-Oxo-2-pyrrolidin-1-ylethyl) 4-chloro-3-nitrobenzoate is C13H13ClN2O5.
What is the molecular weight of (2-Oxo-2-pyrrolidin-1-ylethyl) 4-chloro-3-nitrobenzoate?
The molecular weight of (2-Oxo-2-pyrrolidin-1-ylethyl) 4-chloro-3-nitrobenzoate is 312.05 g/mol.
Where can I buy (2-Oxo-2-pyrrolidin-1-ylethyl) 4-chloro-3-nitrobenzoate?
You can request a quote for (2-Oxo-2-pyrrolidin-1-ylethyl) 4-chloro-3-nitrobenzoate 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) 4-chloro-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Oxo-2-pyrrolidin-1-ylethyl) 4-chloro-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.