Enkleine
TL;DR: Enkleine (CAS 139682-16-9) is a chemical compound with molecular formula C15H13NO4 and molecular weight 271.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-4,7-dimethoxy-2H-benzo[g]isoquinolin-1-one
Also Known As: Enkleine, 5-Hydroxy-4,7-dimethoxybenz(g)isoquinolin-1-one, 5-hydroxy-4,7-dimethoxy-2H-benzo[g]isoquinolin-1-one, Benz(g)isoquinolin-1(2H)-one, 5-hydroxy-4,7-dimethoxy-, 5-hydroxy-4,7-dimethoxybenz[g]isoquinolin-1(2h)-one
| Molecular Formula | C15H13NO4 |
|---|---|
| Molecular Weight | 271.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.08447 |
| Heavy Atoms | 20 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 139682-16-9 |
|---|---|
| SMILES | COC1=CC2=C(C3=C(C=C2C=C1)C(=O)NC=C3OC)O |
| InChIKey | BZQQAEIZFVBENR-UHFFFAOYSA-N |
Product Overview
Enkleine (CAS 139682-16-9), with molecular formula C15H13NO4 and molecular weight 271.08 g/mol. IUPAC: 5-hydroxy-4,7-dimethoxy-2H-benzo[g]isoquinolin-1-one.
Chemical Property Profile of Enkleine
Property Insights of Enkleine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Enkleine. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Enkleine. Following Lipinski's Rule of Five, Enkleine has 2 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 Enkleine?
The CAS number of Enkleine is 139682-16-9.
What is the molecular formula of Enkleine?
The molecular formula of Enkleine is C15H13NO4.
What is the molecular weight of Enkleine?
The molecular weight of Enkleine is 271.08 g/mol.
Where can I buy Enkleine?
You can request a quote for Enkleine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Enkleine?
Yes, KEHONG BIO provides custom synthesis services for Enkleine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.