3-Cyano-2,2,5,5-tetramethyl-1-pyrrolidinyl-N-oxyl
TL;DR: 3-Cyano-2,2,5,5-tetramethyl-1-pyrrolidinyl-N-oxyl (CAS 2154-70-3) is a chemical compound with molecular formula C9H15N2O and molecular weight 167.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: 3-Cyano-proxyl, Cyanoproxyl, 3-cyano-2,2,5,5-tetramethyl-1-pyrrolidinyloxy, 3-Cyano-PROXYL, for ESR-spectroscopy, 3-Cyano-2,2,5,5-tetramethyl-1-pyrrolidinyl-N-oxyl
| Molecular Formula | C9H15N2O |
|---|---|
| Molecular Weight | 167.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 28.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.11844 |
| Heavy Atoms | 12 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 2154-70-3 |
|---|---|
| SMILES | CC1(CC(C(N1[O])(C)C)C#N)C |
| InChIKey | RQRRZZIMMXPAGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Cyano-2,2,5,5-tetramethyl-1-pyrrolidinyl-N-oxyl (CAS 2154-70-3), with molecular formula C9H15N2O and molecular weight 167.12 g/mol.
Chemical Property Profile of 3-Cyano-2,2,5,5-tetramethyl-1-pyrrolidinyl-N-oxyl
Property Insights of 3-Cyano-2,2,5,5-tetramethyl-1-pyrrolidinyl-N-oxyl
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyano-2,2,5,5-tetramethyl-1-pyrrolidinyl-N-oxyl. With a topological polar surface area (TPSA) of 28.0 Ų, 3-Cyano-2,2,5,5-tetramethyl-1-pyrrolidinyl-N-oxyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyano-2,2,5,5-tetramethyl-1-pyrrolidinyl-N-oxyl has 0 hydrogen bond donor(s) and 2 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 3-Cyano-2,2,5,5-tetramethyl-1-pyrrolidinyl-N-oxyl?
The CAS number of 3-Cyano-2,2,5,5-tetramethyl-1-pyrrolidinyl-N-oxyl is 2154-70-3.
What is the molecular formula of 3-Cyano-2,2,5,5-tetramethyl-1-pyrrolidinyl-N-oxyl?
The molecular formula of 3-Cyano-2,2,5,5-tetramethyl-1-pyrrolidinyl-N-oxyl is C9H15N2O.
What is the molecular weight of 3-Cyano-2,2,5,5-tetramethyl-1-pyrrolidinyl-N-oxyl?
The molecular weight of 3-Cyano-2,2,5,5-tetramethyl-1-pyrrolidinyl-N-oxyl is 167.12 g/mol.
Where can I buy 3-Cyano-2,2,5,5-tetramethyl-1-pyrrolidinyl-N-oxyl?
You can request a quote for 3-Cyano-2,2,5,5-tetramethyl-1-pyrrolidinyl-N-oxyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyano-2,2,5,5-tetramethyl-1-pyrrolidinyl-N-oxyl?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyano-2,2,5,5-tetramethyl-1-pyrrolidinyl-N-oxyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.