1-(2-(4-Nitrophenoxy)ethyl)pyrrolidine
TL;DR: 1-(2-(4-Nitrophenoxy)ethyl)pyrrolidine (CAS 265654-77-1) is a chemical compound with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(4-nitrophenoxy)ethyl]pyrrolidine
Also Known As: 1-(2-(4-nitrophenoxy)ethyl)pyrrolidine, 1-[2-(4-nitrophenoxy)ethyl]pyrrolidine, 4- NITROBENZENE, Pyrrolidine, 1-[2-(4-nitrophenoxy)ethyl]-, 4-(2-Pyrrolidin-1-ylethoxy)nitrobenzene
| Molecular Formula | C12H16N2O3 |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 58.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.11609 |
| Heavy Atoms | 17 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 265654-77-1 |
|---|---|
| SMILES | C1CCN(C1)CCOC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | RZIYRKYHMDDHCK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-(4-Nitrophenoxy)ethyl)pyrrolidine (CAS 265654-77-1), with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol. IUPAC: 1-[2-(4-nitrophenoxy)ethyl]pyrrolidine.
Chemical Property Profile of 1-(2-(4-Nitrophenoxy)ethyl)pyrrolidine
Property Insights of 1-(2-(4-Nitrophenoxy)ethyl)pyrrolidine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-(4-Nitrophenoxy)ethyl)pyrrolidine. With a topological polar surface area (TPSA) of 58.3 Ų, 1-(2-(4-Nitrophenoxy)ethyl)pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-(4-Nitrophenoxy)ethyl)pyrrolidine has 0 hydrogen bond donor(s) and 4 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 1-(2-(4-Nitrophenoxy)ethyl)pyrrolidine?
The CAS number of 1-(2-(4-Nitrophenoxy)ethyl)pyrrolidine is 265654-77-1.
What is the molecular formula of 1-(2-(4-Nitrophenoxy)ethyl)pyrrolidine?
The molecular formula of 1-(2-(4-Nitrophenoxy)ethyl)pyrrolidine is C12H16N2O3.
What is the molecular weight of 1-(2-(4-Nitrophenoxy)ethyl)pyrrolidine?
The molecular weight of 1-(2-(4-Nitrophenoxy)ethyl)pyrrolidine is 236.12 g/mol.
Where can I buy 1-(2-(4-Nitrophenoxy)ethyl)pyrrolidine?
You can request a quote for 1-(2-(4-Nitrophenoxy)ethyl)pyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-(4-Nitrophenoxy)ethyl)pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(4-Nitrophenoxy)ethyl)pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.