3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-ethoxy-4-(1-iminoethyl)-
TL;DR: 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-ethoxy-4-(1-iminoethyl)- (CAS 89246-74-2) is a chemical compound with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethanimidoyl-1-ethoxy-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
Also Known As: 3-Isoquinolinol, 5,6,7,8-tetrahydro-1-ethoxy-4-(1-iminoethyl)-, 1-Ethoxy-4-(1-iminoethyl)-5,6,7,8-tetrahydro-cyclohexa(c)pyridin-3-ol, 3(2H)-ISOQUINOLINONE, 5,6,7,8-TETRAHYDRO-1-ETHOXY-4-(1-IMINOETHYL)-, 5,6,7,8-Tetrahydro-1-ethoxy-4-(1-iminoethyl)-3(2H)-isoquinolinone, (4Z)-4-(1-aminoethylidene)-1-ethoxy-5,6,7,8-tetrahydroisoquinolin-3-one
| Molecular Formula | C13H18N2O2 |
|---|---|
| Molecular Weight | 234.14 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.13683 |
| Heavy Atoms | 17 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 89246-74-2 |
|---|---|
| SMILES | CCOC1=C2CCCCC2=C(C(=O)N1)C(=N)C |
| InChIKey | OYPWDSMGPRCGLZ-UHFFFAOYSA-N |
Product Overview
3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-ethoxy-4-(1-iminoethyl)- (CAS 89246-74-2), with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol. IUPAC: 4-ethanimidoyl-1-ethoxy-5,6,7,8-tetrahydro-2H-isoquinolin-3-one.
Chemical Property Profile of 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-ethoxy-4-(1-iminoethyl)-
Property Insights of 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-ethoxy-4-(1-iminoethyl)-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-ethoxy-4-(1-iminoethyl)-. 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-ethoxy-4-(1-iminoethyl)-. Following Lipinski's Rule of Five, 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-ethoxy-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-ethoxy-4-(1-iminoethyl)-?
The CAS number of 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-ethoxy-4-(1-iminoethyl)- is 89246-74-2.
What is the molecular formula of 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-ethoxy-4-(1-iminoethyl)-?
The molecular formula of 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-ethoxy-4-(1-iminoethyl)- is C13H18N2O2.
What is the molecular weight of 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-ethoxy-4-(1-iminoethyl)-?
The molecular weight of 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-ethoxy-4-(1-iminoethyl)- is 234.14 g/mol.
Where can I buy 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-ethoxy-4-(1-iminoethyl)-?
You can request a quote for 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-ethoxy-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-ethoxy-4-(1-iminoethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-ethoxy-4-(1-iminoethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.