Isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide
TL;DR: Isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide (CAS 148671-62-9) is a chemical compound with molecular formula C11H13NO and molecular weight 175.10 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
Also Known As: 3,4-Dihydro-3,3-dimethylisoquinoline 2-oxide, Isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide, 3,3-Dimethyl-3,4-dihydroisoquinoline N-oxide, 3,3-dimethyl-2-oxido-4H-isoquinolin-2-ium, 3,3-Dimethyl-3,4-dihydroisoquinoline 2-oxide
| Molecular Formula | C11H13NO |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 1.9505 |
| Topological Polar Surface Area | 26.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.09972 |
| Heavy Atoms | 13 |
| Complexity | 366.10797 |
Chemical Identifiers
| CAS Number | 148671-62-9 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C=[N+]1[O-])C |
Product Overview
Isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide (CAS 148671-62-9), with molecular formula C11H13NO and molecular weight 175.10 g/mol. IUPAC: 3,3-dimethyl-2-oxido-4H-isoquinolin-2-ium.
Chemical Property Profile of Isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide
Property Insights of Isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide
The XLogP value of 1.9505 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide. With a topological polar surface area (TPSA) of 26.07 Ų, Isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide 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 Isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide?
The CAS number of Isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide is 148671-62-9.
What is the molecular formula of Isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide?
The molecular formula of Isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide is C11H13NO.
What is the molecular weight of Isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide?
The molecular weight of Isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide is 175.10 g/mol.
Where can I buy Isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide?
You can request a quote for Isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.