3,3-Dimethyl-2-oxo-3,4-dihydro-2lambda~5~-isoquinolin-4-ol
TL;DR: 3,3-Dimethyl-2-oxo-3,4-dihydro-2lambda~5~-isoquinolin-4-ol (CAS 184375-93-7) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-2-oxido-4H-isoquinolin-2-ium-4-ol
Also Known As: 3,3-Dimethyl-3,4-dihydroisoquinolin-4-ol N-oxide, 3,3-dimethyl-2-oxido-4H-isoquinolin-2-ium-4-ol, 3,4-Dihydro-3,3-dimethyl-4-isoquinolinol 2-oxide, 4-Isoquinolinol, 3,4-dihydro-3,3-dimethyl-, 2-oxide, 3,3-DIMETHYL-2-OXIDO-4H-ISOQUINOLIN-4-OL
| Molecular Formula | C11H13NO2 |
|---|---|
| Molecular Weight | 191.09 g/mol |
| LogP | 1.4414 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.09464 |
| Heavy Atoms | 14 |
| Complexity | 396.02893 |
Chemical Identifiers
| CAS Number | 184375-93-7 |
|---|---|
| SMILES | CC1(C(C2=CC=CC=C2C=[N+]1[O-])O)C |
Product Overview
3,3-Dimethyl-2-oxo-3,4-dihydro-2lambda~5~-isoquinolin-4-ol (CAS 184375-93-7), with molecular formula C11H13NO2 and molecular weight 191.09 g/mol. IUPAC: 3,3-dimethyl-2-oxido-4H-isoquinolin-2-ium-4-ol.
Chemical Property Profile of 3,3-Dimethyl-2-oxo-3,4-dihydro-2lambda~5~-isoquinolin-4-ol
Property Insights of 3,3-Dimethyl-2-oxo-3,4-dihydro-2lambda~5~-isoquinolin-4-ol
The XLogP value of 1.4414 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyl-2-oxo-3,4-dihydro-2lambda~5~-isoquinolin-4-ol. With a topological polar surface area (TPSA) of 46.3 Ų, 3,3-Dimethyl-2-oxo-3,4-dihydro-2lambda~5~-isoquinolin-4-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-2-oxo-3,4-dihydro-2lambda~5~-isoquinolin-4-ol 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 3,3-Dimethyl-2-oxo-3,4-dihydro-2lambda~5~-isoquinolin-4-ol?
The CAS number of 3,3-Dimethyl-2-oxo-3,4-dihydro-2lambda~5~-isoquinolin-4-ol is 184375-93-7.
What is the molecular formula of 3,3-Dimethyl-2-oxo-3,4-dihydro-2lambda~5~-isoquinolin-4-ol?
The molecular formula of 3,3-Dimethyl-2-oxo-3,4-dihydro-2lambda~5~-isoquinolin-4-ol is C11H13NO2.
What is the molecular weight of 3,3-Dimethyl-2-oxo-3,4-dihydro-2lambda~5~-isoquinolin-4-ol?
The molecular weight of 3,3-Dimethyl-2-oxo-3,4-dihydro-2lambda~5~-isoquinolin-4-ol is 191.09 g/mol.
Where can I buy 3,3-Dimethyl-2-oxo-3,4-dihydro-2lambda~5~-isoquinolin-4-ol?
You can request a quote for 3,3-Dimethyl-2-oxo-3,4-dihydro-2lambda~5~-isoquinolin-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethyl-2-oxo-3,4-dihydro-2lambda~5~-isoquinolin-4-ol?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-2-oxo-3,4-dihydro-2lambda~5~-isoquinolin-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.