5,5-二甲基-2-苯基-1-吡咯啉N-氧化物
TL;DR: 5,5-二甲基-2-苯基-1-吡咯啉N-氧化物 (CAS 59843-26-4) is a chemical compound with molecular formula C12H15NO and molecular weight 189.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-二甲基-2-苯基-1-吡咯啉N-氧化物
2,2-dimethyl-1-oxido-5-phenyl-3,4-dihydropyrrol-1-ium
Also Known As: 2-Phenyl-dmpo, 5,5-Dimethyl-2-phenyl-1-pyrroline-N-oxide, 3,4-Dihydro-2,2-dimethyl-5-phenyl-2H-pyrrole 1-oxide, 2-Phenyl-5,5-dimethyl-1-pyrroline 1-oxide, 2,2-dimethyl-1-oxido-5-phenyl-3,4-dihydropyrrol-1-ium
| Molecular Formula | C12H15NO |
|---|---|
| Molecular Weight | 189.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 28.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.11537 |
| Heavy Atoms | 14 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 59843-26-4 |
|---|---|
| SMILES | CC1(CCC(=[N+]1[O-])C2=CC=CC=C2)C |
| InChIKey | WNWSBJPGOXENQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,5-二甲基-2-苯基-1-吡咯啉N-氧化物 (CAS 59843-26-4), with molecular formula C12H15NO and molecular weight 189.12 g/mol. IUPAC: 2,2-dimethyl-1-oxido-5-phenyl-3,4-dihydropyrrol-1-ium.
Chemical Property Profile of 5,5-二甲基-2-苯基-1-吡咯啉N-氧化物
Property Insights of 5,5-二甲基-2-苯基-1-吡咯啉N-氧化物
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-二甲基-2-苯基-1-吡咯啉N-氧化物. With a topological polar surface area (TPSA) of 28.8 Ų, 5,5-二甲基-2-苯基-1-吡咯啉N-氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-二甲基-2-苯基-1-吡咯啉N-氧化物 has 0 hydrogen bond donor(s) and 1 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 5,5-二甲基-2-苯基-1-吡咯啉N-氧化物?
The CAS number of 5,5-二甲基-2-苯基-1-吡咯啉N-氧化物 is 59843-26-4.
What is the molecular formula of 5,5-二甲基-2-苯基-1-吡咯啉N-氧化物?
The molecular formula of 5,5-二甲基-2-苯基-1-吡咯啉N-氧化物 is C12H15NO.
What is the molecular weight of 5,5-二甲基-2-苯基-1-吡咯啉N-氧化物?
The molecular weight of 5,5-二甲基-2-苯基-1-吡咯啉N-氧化物 is 189.12 g/mol.
Where can I buy 5,5-二甲基-2-苯基-1-吡咯啉N-氧化物?
You can request a quote for 5,5-二甲基-2-苯基-1-吡咯啉N-氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-二甲基-2-苯基-1-吡咯啉N-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 5,5-二甲基-2-苯基-1-吡咯啉N-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.