1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-9H-xanthen-9-one
TL;DR: 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-9H-xanthen-9-one (CAS 86456-18-0) is a chemical compound with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(dimethylamino)ethylamino]-7-hydroxyxanthen-9-one
Also Known As: 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-9H-xanthen-9-one, 3549AC, 1-(2-dimethylaminoethylamino)-7-hydroxyxanthen-9-one, 1-(2-dimethylaminoethylamino)-7-hydroxy-xanthen-9-one, 1-{[2-(Dimethylamino)ethyl]amino}-7-hydroxy-9H-xanthen-9-one
| Molecular Formula | C17H18N2O3 |
|---|---|
| Molecular Weight | 298.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.13174 |
| Heavy Atoms | 22 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 86456-18-0 |
|---|---|
| SMILES | CN(C)CCNC1=C2C(=CC=C1)OC3=C(C2=O)C=C(C=C3)O |
| InChIKey | GTDOTAYBRNQTSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-9H-xanthen-9-one (CAS 86456-18-0), with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol. IUPAC: 1-[2-(dimethylamino)ethylamino]-7-hydroxyxanthen-9-one.
Chemical Property Profile of 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-9H-xanthen-9-one
Property Insights of 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-9H-xanthen-9-one
The XLogP value of 3.2 indicates that 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-9H-xanthen-9-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-9H-xanthen-9-one. Following Lipinski's Rule of Five, 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-9H-xanthen-9-one has 2 hydrogen bond donor(s) and 5 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 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-9H-xanthen-9-one?
The CAS number of 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-9H-xanthen-9-one is 86456-18-0.
What is the molecular formula of 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-9H-xanthen-9-one?
The molecular formula of 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-9H-xanthen-9-one is C17H18N2O3.
What is the molecular weight of 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-9H-xanthen-9-one?
The molecular weight of 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-9H-xanthen-9-one is 298.13 g/mol.
Where can I buy 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-9H-xanthen-9-one?
You can request a quote for 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-9H-xanthen-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-9H-xanthen-9-one?
Yes, KEHONG BIO provides custom synthesis services for 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-9H-xanthen-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.