3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-(hexyloxy)-4-(1-iminoethyl)-
TL;DR: 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-(hexyloxy)-4-(1-iminoethyl)- (CAS 89246-77-5) is a chemical compound with molecular formula C17H26N2O2 and molecular weight 290.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethanimidoyl-1-hexoxy-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
Also Known As: 3-Isoquinolinol, 5,6,7,8-tetrahydro-1-(hexyloxy)-4-(1-iminoethyl)-, 3(2H)-ISOQUINOLINONE, 5,6,7,8-TETRAHYDRO-1-(HEXYLOXY)-4-(1-IMINOETHYL)-, 5,6,7,8-Tetrahydro-1-(hexyloxy)-4-(1-iminoethyl)-3(2H)-isoquinolinone, (4Z)-4-(1-aminoethylidene)-1-hexoxy-5,6,7,8-tetrahydroisoquinolin-3-one, RefChem:1065445
| Molecular Formula | C17H26N2O2 |
|---|---|
| Molecular Weight | 290.20 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 290.19943 |
| Heavy Atoms | 21 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 89246-77-5 |
|---|---|
| SMILES | CCCCCCOC1=C2CCCCC2=C(C(=O)N1)C(=N)C |
| InChIKey | VQTMZHFEYUJCCN-UHFFFAOYSA-N |
Product Overview
3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-(hexyloxy)-4-(1-iminoethyl)- (CAS 89246-77-5), with molecular formula C17H26N2O2 and molecular weight 290.20 g/mol. IUPAC: 4-ethanimidoyl-1-hexoxy-5,6,7,8-tetrahydro-2H-isoquinolin-3-one.
Chemical Property Profile of 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-(hexyloxy)-4-(1-iminoethyl)-
Property Insights of 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-(hexyloxy)-4-(1-iminoethyl)-
The XLogP value of 3.2 indicates that 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-(hexyloxy)-4-(1-iminoethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-(hexyloxy)-4-(1-iminoethyl)-. Following Lipinski's Rule of Five, 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-(hexyloxy)-4-(1-iminoethyl)- has 2 hydrogen bond donor(s) and 3 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, 5,6,7,8-tetrahydro-1-(hexyloxy)-4-(1-iminoethyl)-?
The CAS number of 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-(hexyloxy)-4-(1-iminoethyl)- is 89246-77-5.
What is the molecular formula of 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-(hexyloxy)-4-(1-iminoethyl)-?
The molecular formula of 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-(hexyloxy)-4-(1-iminoethyl)- is C17H26N2O2.
What is the molecular weight of 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-(hexyloxy)-4-(1-iminoethyl)-?
The molecular weight of 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-(hexyloxy)-4-(1-iminoethyl)- is 290.20 g/mol.
Where can I buy 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-(hexyloxy)-4-(1-iminoethyl)-?
You can request a quote for 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-(hexyloxy)-4-(1-iminoethyl)- 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, 5,6,7,8-tetrahydro-1-(hexyloxy)-4-(1-iminoethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-(hexyloxy)-4-(1-iminoethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.