3,4-二氢异喹啉-2-氧化物
TL;DR: 3,4-二氢异喹啉-2-氧化物 (CAS 65194-03-8) is a chemical compound with molecular formula C9H9NO and molecular weight 147.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-二氢异喹啉-2-氧化物
2-oxido-3,4-dihydroisoquinolin-2-ium
Also Known As: 3,4-dihydroisoquinoline 2-oxide, 3,4-dihydroisoquinoline n-oxide, Isoquinoline, 3,4-dihydro-, 2-oxide, 1,4-dihydroisoquinoline 2-oxide, 3,4-dihydroisoquinoline-2-oxide
| Molecular Formula | C9H9NO |
|---|---|
| Molecular Weight | 147.07 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 28.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 147.06842 |
| Heavy Atoms | 11 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 65194-03-8 |
|---|---|
| SMILES | C1C[N+](=CC2=CC=CC=C21)[O-] |
| InChIKey | AXQPWUAAOXVGOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-二氢异喹啉-2-氧化物 (CAS 65194-03-8), with molecular formula C9H9NO and molecular weight 147.07 g/mol. IUPAC: 2-oxido-3,4-dihydroisoquinolin-2-ium.
Chemical Property Profile of 3,4-二氢异喹啉-2-氧化物
Property Insights of 3,4-二氢异喹啉-2-氧化物
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-二氢异喹啉-2-氧化物. With a topological polar surface area (TPSA) of 28.8 Ų, 3,4-二氢异喹啉-2-氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-二氢异喹啉-2-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 3,4-二氢异喹啉-2-氧化物?
The CAS number of 3,4-二氢异喹啉-2-氧化物 is 65194-03-8.
What is the molecular formula of 3,4-二氢异喹啉-2-氧化物?
The molecular formula of 3,4-二氢异喹啉-2-氧化物 is C9H9NO.
What is the molecular weight of 3,4-二氢异喹啉-2-氧化物?
The molecular weight of 3,4-二氢异喹啉-2-氧化物 is 147.07 g/mol.
Where can I buy 3,4-二氢异喹啉-2-氧化物?
You can request a quote for 3,4-二氢异喹啉-2-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 3,4-二氢异喹啉-2-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 3,4-二氢异喹啉-2-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.