3-(5,5-Dimethyl-1-oxido-4-phenyl-3,4-dihydropyrrol-1-ium-2-yl)phenol
TL;DR: 3-(5,5-Dimethyl-1-oxido-4-phenyl-3,4-dihydropyrrol-1-ium-2-yl)phenol (CAS 54254-57-8) is a chemical compound with molecular formula C18H19NO2 and molecular weight 281.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5,5-dimethyl-1-oxido-4-phenyl-3,4-dihydropyrrol-1-ium-2-yl)phenol
Also Known As: 3-(5,5-dimethyl-1-oxido-4-phenyl-3,4-dihydropyrrol-1-ium-2-yl)phenol, Phenol,3-(3,4-dihydro-2,2-dimethyl-1-oxido-3-phenyl-2h-pyrrol-5-yl)-, 3-(2,2-Dimethyl-1-oxo-3-phenyl-3,4-dihydro-2H-1lambda~5~-pyrrol-5-yl)phenol
| Molecular Formula | C18H19NO2 |
|---|---|
| Molecular Weight | 281.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 49.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.14157 |
| Heavy Atoms | 21 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 54254-57-8 |
|---|---|
| SMILES | CC1(C(CC(=[N+]1[O-])C2=CC(=CC=C2)O)C3=CC=CC=C3)C |
| InChIKey | WESZGKJUMUJYLG-UHFFFAOYSA-N |
Product Overview
3-(5,5-Dimethyl-1-oxido-4-phenyl-3,4-dihydropyrrol-1-ium-2-yl)phenol (CAS 54254-57-8), with molecular formula C18H19NO2 and molecular weight 281.14 g/mol. IUPAC: 3-(5,5-dimethyl-1-oxido-4-phenyl-3,4-dihydropyrrol-1-ium-2-yl)phenol.
Chemical Property Profile of 3-(5,5-Dimethyl-1-oxido-4-phenyl-3,4-dihydropyrrol-1-ium-2-yl)phenol
Property Insights of 3-(5,5-Dimethyl-1-oxido-4-phenyl-3,4-dihydropyrrol-1-ium-2-yl)phenol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5,5-Dimethyl-1-oxido-4-phenyl-3,4-dihydropyrrol-1-ium-2-yl)phenol. With a topological polar surface area (TPSA) of 49.0 Ų, 3-(5,5-Dimethyl-1-oxido-4-phenyl-3,4-dihydropyrrol-1-ium-2-yl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5,5-Dimethyl-1-oxido-4-phenyl-3,4-dihydropyrrol-1-ium-2-yl)phenol has 1 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-(5,5-Dimethyl-1-oxido-4-phenyl-3,4-dihydropyrrol-1-ium-2-yl)phenol?
The CAS number of 3-(5,5-Dimethyl-1-oxido-4-phenyl-3,4-dihydropyrrol-1-ium-2-yl)phenol is 54254-57-8.
What is the molecular formula of 3-(5,5-Dimethyl-1-oxido-4-phenyl-3,4-dihydropyrrol-1-ium-2-yl)phenol?
The molecular formula of 3-(5,5-Dimethyl-1-oxido-4-phenyl-3,4-dihydropyrrol-1-ium-2-yl)phenol is C18H19NO2.
What is the molecular weight of 3-(5,5-Dimethyl-1-oxido-4-phenyl-3,4-dihydropyrrol-1-ium-2-yl)phenol?
The molecular weight of 3-(5,5-Dimethyl-1-oxido-4-phenyl-3,4-dihydropyrrol-1-ium-2-yl)phenol is 281.14 g/mol.
Where can I buy 3-(5,5-Dimethyl-1-oxido-4-phenyl-3,4-dihydropyrrol-1-ium-2-yl)phenol?
You can request a quote for 3-(5,5-Dimethyl-1-oxido-4-phenyl-3,4-dihydropyrrol-1-ium-2-yl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5,5-Dimethyl-1-oxido-4-phenyl-3,4-dihydropyrrol-1-ium-2-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 3-(5,5-Dimethyl-1-oxido-4-phenyl-3,4-dihydropyrrol-1-ium-2-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.