4-异喹啉胺 2-氧化物
TL;DR: 4-异喹啉胺 2-氧化物 (CAS 500891-61-2) is a chemical compound with molecular formula C9H8N2O and molecular weight 160.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-异喹啉胺 2-氧化物
2-oxidoisoquinolin-2-ium-4-amine
Also Known As: 4-Isoquinolinamine,2-oxide, 2-oxidoisoquinolin-2-ium-4-amine, 4-ISOQUINOLINAMINE, 2-OXIDE
| Molecular Formula | C9H8N2O |
|---|---|
| Molecular Weight | 160.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 51.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.06366 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 500891-61-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=[N+](C=C2N)[O-] |
| InChIKey | WPHBBAFZERSDIF-UHFFFAOYSA-N |
Product Overview
4-异喹啉胺 2-氧化物 (CAS 500891-61-2), with molecular formula C9H8N2O and molecular weight 160.06 g/mol. IUPAC: 2-oxidoisoquinolin-2-ium-4-amine.
Chemical Property Profile of 4-异喹啉胺 2-氧化物
Property Insights of 4-异喹啉胺 2-氧化物
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-异喹啉胺 2-氧化物. With a topological polar surface area (TPSA) of 51.5 Ų, 4-异喹啉胺 2-氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-异喹啉胺 2-氧化物 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 4-异喹啉胺 2-氧化物?
The CAS number of 4-异喹啉胺 2-氧化物 is 500891-61-2.
What is the molecular formula of 4-异喹啉胺 2-氧化物?
The molecular formula of 4-异喹啉胺 2-氧化物 is C9H8N2O.
What is the molecular weight of 4-异喹啉胺 2-氧化物?
The molecular weight of 4-异喹啉胺 2-氧化物 is 160.06 g/mol.
Where can I buy 4-异喹啉胺 2-氧化物?
You can request a quote for 4-异喹啉胺 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 4-异喹啉胺 2-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 4-异喹啉胺 2-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.