5-氨基异喹啉-1(2H)-酮
TL;DR: 5-氨基异喹啉-1(2H)-酮 (CAS 93117-08-9) 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.
5-氨基异喹啉-1(2H)-酮
5-amino-2H-isoquinolin-1-one
Also Known As: 5-aminoisoquinolin-1(2H)-one, 5-amino-2H-isoquinolin-1-one, 5-AMINOISOQUINOLIN-1-OL, 5-AIQ, 4pnq
| Molecular Formula | C9H8N2O |
|---|---|
| Molecular Weight | 160.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.06366 |
| Heavy Atoms | 12 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 93117-08-9 |
|---|---|
| SMILES | C1=CC2=C(C=CNC2=O)C(=C1)N |
| InChIKey | SVASVGVAQIVSEZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-氨基异喹啉-1(2H)-酮 (CAS 93117-08-9), with molecular formula C9H8N2O and molecular weight 160.06 g/mol. IUPAC: 5-amino-2H-isoquinolin-1-one.
Chemical Property Profile of 5-氨基异喹啉-1(2H)-酮
Property Insights of 5-氨基异喹啉-1(2H)-酮
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-氨基异喹啉-1(2H)-酮. With a topological polar surface area (TPSA) of 55.1 Ų, 5-氨基异喹啉-1(2H)-酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-氨基异喹啉-1(2H)-酮 has 2 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 5-氨基异喹啉-1(2H)-酮?
The CAS number of 5-氨基异喹啉-1(2H)-酮 is 93117-08-9.
What is the molecular formula of 5-氨基异喹啉-1(2H)-酮?
The molecular formula of 5-氨基异喹啉-1(2H)-酮 is C9H8N2O.
What is the molecular weight of 5-氨基异喹啉-1(2H)-酮?
The molecular weight of 5-氨基异喹啉-1(2H)-酮 is 160.06 g/mol.
Where can I buy 5-氨基异喹啉-1(2H)-酮?
You can request a quote for 5-氨基异喹啉-1(2H)-酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氨基异喹啉-1(2H)-酮?
Yes, KEHONG BIO provides custom synthesis services for 5-氨基异喹啉-1(2H)-酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.