3(2H)-Isoquinolinone, 1-amino-, oxime
TL;DR: 3(2H)-Isoquinolinone, 1-amino-, oxime (CAS 41536-79-2) is a chemical compound with molecular formula C9H9N3O and molecular weight 175.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-aminoisoquinolin-3-yl)hydroxylamine
Also Known As: 1,3-Isoquinolinediamine, N3-hydroxy-, 1-Aminoisoquinolin-3(2H)-one oxime, 3-(Hydroxyamino)-1-isoquinolinamine, 3(2H)-Isoquinolinone, 1-amino-, oxime, 3-(Hydroxyamino)-1-isoquinolinamine #
| Molecular Formula | C9H9N3O |
|---|---|
| Molecular Weight | 175.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 71.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.07455 |
| Heavy Atoms | 13 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 41536-79-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(N=C2N)NO |
| InChIKey | MTSCANIDRNDRPD-UHFFFAOYSA-N |
Product Overview
3(2H)-Isoquinolinone, 1-amino-, oxime (CAS 41536-79-2), with molecular formula C9H9N3O and molecular weight 175.07 g/mol. IUPAC: N-(1-aminoisoquinolin-3-yl)hydroxylamine.
Chemical Property Profile of 3(2H)-Isoquinolinone, 1-amino-, oxime
Property Insights of 3(2H)-Isoquinolinone, 1-amino-, oxime
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3(2H)-Isoquinolinone, 1-amino-, oxime. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3(2H)-Isoquinolinone, 1-amino-, oxime. Following Lipinski's Rule of Five, 3(2H)-Isoquinolinone, 1-amino-, oxime has 3 hydrogen bond donor(s) and 4 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(2H)-Isoquinolinone, 1-amino-, oxime?
The CAS number of 3(2H)-Isoquinolinone, 1-amino-, oxime is 41536-79-2.
What is the molecular formula of 3(2H)-Isoquinolinone, 1-amino-, oxime?
The molecular formula of 3(2H)-Isoquinolinone, 1-amino-, oxime is C9H9N3O.
What is the molecular weight of 3(2H)-Isoquinolinone, 1-amino-, oxime?
The molecular weight of 3(2H)-Isoquinolinone, 1-amino-, oxime is 175.07 g/mol.
Where can I buy 3(2H)-Isoquinolinone, 1-amino-, oxime?
You can request a quote for 3(2H)-Isoquinolinone, 1-amino-, oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3(2H)-Isoquinolinone, 1-amino-, oxime?
Yes, KEHONG BIO provides custom synthesis services for 3(2H)-Isoquinolinone, 1-amino-, oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.