(2-Chloro-4-nitrophenyl)(pyrrolidin-1-yl)methanone
TL;DR: (2-Chloro-4-nitrophenyl)(pyrrolidin-1-yl)methanone (CAS 209959-68-2) is a chemical compound with molecular formula C11H11ClN2O3 and molecular weight 254.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-4-nitrophenyl)-pyrrolidin-1-ylmethanone
Also Known As: (2-chloro-4-nitrophenyl)(pyrrolidin-1-yl)methanone, (2-chloro-4-nitrophenyl)-pyrrolidin-1-ylmethanone, UPCMLD0ENAT5710773:001, 2-chloro-4-nitrophenyl pyrrolidinyl ketone, AB00080922-01
| Molecular Formula | C11H11ClN2O3 |
|---|---|
| Molecular Weight | 254.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.04582 |
| Heavy Atoms | 17 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 209959-68-2 |
|---|---|
| SMILES | C1CCN(C1)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl |
| InChIKey | VSDLHRMCAJKOTJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Chloro-4-nitrophenyl)(pyrrolidin-1-yl)methanone (CAS 209959-68-2), with molecular formula C11H11ClN2O3 and molecular weight 254.05 g/mol. IUPAC: (2-chloro-4-nitrophenyl)-pyrrolidin-1-ylmethanone.
Chemical Property Profile of (2-Chloro-4-nitrophenyl)(pyrrolidin-1-yl)methanone
Property Insights of (2-Chloro-4-nitrophenyl)(pyrrolidin-1-yl)methanone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Chloro-4-nitrophenyl)(pyrrolidin-1-yl)methanone. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Chloro-4-nitrophenyl)(pyrrolidin-1-yl)methanone. Following Lipinski's Rule of Five, (2-Chloro-4-nitrophenyl)(pyrrolidin-1-yl)methanone 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-Chloro-4-nitrophenyl)(pyrrolidin-1-yl)methanone?
The CAS number of (2-Chloro-4-nitrophenyl)(pyrrolidin-1-yl)methanone is 209959-68-2.
What is the molecular formula of (2-Chloro-4-nitrophenyl)(pyrrolidin-1-yl)methanone?
The molecular formula of (2-Chloro-4-nitrophenyl)(pyrrolidin-1-yl)methanone is C11H11ClN2O3.
What is the molecular weight of (2-Chloro-4-nitrophenyl)(pyrrolidin-1-yl)methanone?
The molecular weight of (2-Chloro-4-nitrophenyl)(pyrrolidin-1-yl)methanone is 254.05 g/mol.
Where can I buy (2-Chloro-4-nitrophenyl)(pyrrolidin-1-yl)methanone?
You can request a quote for (2-Chloro-4-nitrophenyl)(pyrrolidin-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Chloro-4-nitrophenyl)(pyrrolidin-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (2-Chloro-4-nitrophenyl)(pyrrolidin-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.