3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-4-(1-iminoethyl)-1-propoxy-
TL;DR: 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-4-(1-iminoethyl)-1-propoxy- (CAS 89246-75-3) is a chemical compound with molecular formula C14H20N2O2 and molecular weight 248.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethanimidoyl-1-propoxy-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
Also Known As: 3-Isoquinolinol, 5,6,7,8-tetrahydro-4-(1-iminoethyl)-1-propoxy-, 3(2H)-ISOQUINOLINONE, 5,6,7,8-TETRAHYDRO-4-(1-IMINOETHYL)-1-PROPOXY-, 5,6,7,8-Tetrahydro-4-(1-iminoethyl)-1-propoxy-3(2H)-isoquinolinone, (4Z)-4-(1-aminoethylidene)-1-propoxy-5,6,7,8-tetrahydroisoquinolin-3-one, RefChem:1065448
| Molecular Formula | C14H20N2O2 |
|---|---|
| Molecular Weight | 248.15 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.15248 |
| Heavy Atoms | 18 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 89246-75-3 |
|---|---|
| SMILES | CCCOC1=C2CCCCC2=C(C(=O)N1)C(=N)C |
| InChIKey | BBTOCNZISOVZNP-UHFFFAOYSA-N |
Product Overview
3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-4-(1-iminoethyl)-1-propoxy- (CAS 89246-75-3), with molecular formula C14H20N2O2 and molecular weight 248.15 g/mol. IUPAC: 4-ethanimidoyl-1-propoxy-5,6,7,8-tetrahydro-2H-isoquinolin-3-one.
Chemical Property Profile of 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-4-(1-iminoethyl)-1-propoxy-
Property Insights of 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-4-(1-iminoethyl)-1-propoxy-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-4-(1-iminoethyl)-1-propoxy-. 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-4-(1-iminoethyl)-1-propoxy-. Following Lipinski's Rule of Five, 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-4-(1-iminoethyl)-1-propoxy- 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-4-(1-iminoethyl)-1-propoxy-?
The CAS number of 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-4-(1-iminoethyl)-1-propoxy- is 89246-75-3.
What is the molecular formula of 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-4-(1-iminoethyl)-1-propoxy-?
The molecular formula of 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-4-(1-iminoethyl)-1-propoxy- is C14H20N2O2.
What is the molecular weight of 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-4-(1-iminoethyl)-1-propoxy-?
The molecular weight of 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-4-(1-iminoethyl)-1-propoxy- is 248.15 g/mol.
Where can I buy 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-4-(1-iminoethyl)-1-propoxy-?
You can request a quote for 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-4-(1-iminoethyl)-1-propoxy- 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-4-(1-iminoethyl)-1-propoxy-?
Yes, KEHONG BIO provides custom synthesis services for 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-4-(1-iminoethyl)-1-propoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.