1-(2-Ethoxy-4-nitrophenyl)pyrrolidine
TL;DR: 1-(2-Ethoxy-4-nitrophenyl)pyrrolidine (CAS 68052-19-7) 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-ethoxy-4-nitrophenyl)pyrrolidine
Also Known As: 1-(2-Ethoxy-4-nitrophenyl)pyrrolidine, N-(2-Ethoxy-4-nitrophenyl)pyrrolidine, Pyrrolidine, 1-(2-ethoxy-4-nitrophenyl)-, 268-312-1, EINECS 268-312-1
| Molecular Formula | C12H16N2O3 |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 58.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.11609 |
| Heavy Atoms | 17 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 68052-19-7 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2 |
| InChIKey | KJWAQCRRFKAAIW-UHFFFAOYSA-N |
Product Overview
1-(2-Ethoxy-4-nitrophenyl)pyrrolidine (CAS 68052-19-7), with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol. IUPAC: 1-(2-ethoxy-4-nitrophenyl)pyrrolidine.
Chemical Property Profile of 1-(2-Ethoxy-4-nitrophenyl)pyrrolidine
Property Insights of 1-(2-Ethoxy-4-nitrophenyl)pyrrolidine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Ethoxy-4-nitrophenyl)pyrrolidine. With a topological polar surface area (TPSA) of 58.3 Ų, 1-(2-Ethoxy-4-nitrophenyl)pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Ethoxy-4-nitrophenyl)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-Ethoxy-4-nitrophenyl)pyrrolidine?
The CAS number of 1-(2-Ethoxy-4-nitrophenyl)pyrrolidine is 68052-19-7.
What is the molecular formula of 1-(2-Ethoxy-4-nitrophenyl)pyrrolidine?
The molecular formula of 1-(2-Ethoxy-4-nitrophenyl)pyrrolidine is C12H16N2O3.
What is the molecular weight of 1-(2-Ethoxy-4-nitrophenyl)pyrrolidine?
The molecular weight of 1-(2-Ethoxy-4-nitrophenyl)pyrrolidine is 236.12 g/mol.
Where can I buy 1-(2-Ethoxy-4-nitrophenyl)pyrrolidine?
You can request a quote for 1-(2-Ethoxy-4-nitrophenyl)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-Ethoxy-4-nitrophenyl)pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Ethoxy-4-nitrophenyl)pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.