1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-one
TL;DR: 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-one (CAS 86455-98-3) is a chemical compound with molecular formula C18H20N2O4 and molecular weight 328.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(dimethylamino)ethylamino]-7-hydroxy-4-(hydroxymethyl)xanthen-9-one
Also Known As: 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-one, 9H-Xanthen-9-one der., 1-[2-(dimethylamino)ethylamino]-7-hydroxy-4-(hydroxymethyl)xanthen-9-one, NCI60_003200, CAS# 86455-98-3;9H-Xanthen-9-one der.
| Molecular Formula | C18H20N2O4 |
|---|---|
| Molecular Weight | 328.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.1423 |
| Heavy Atoms | 24 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 86455-98-3 |
|---|---|
| SMILES | CN(C)CCNC1=C2C(=C(C=C1)CO)OC3=C(C2=O)C=C(C=C3)O |
| InChIKey | BOTXZPXSICDQHE-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-4-(hydroxymethyl)-9H-xanthen-9-one (CAS 86455-98-3), with molecular formula C18H20N2O4 and molecular weight 328.14 g/mol. IUPAC: 1-[2-(dimethylamino)ethylamino]-7-hydroxy-4-(hydroxymethyl)xanthen-9-one.
Chemical Property Profile of 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-one
Property Insights of 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-one. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-one. Following Lipinski's Rule of Five, 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-one has 3 hydrogen bond donor(s) and 6 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-4-(hydroxymethyl)-9H-xanthen-9-one?
The CAS number of 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-one is 86455-98-3.
What is the molecular formula of 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-one?
The molecular formula of 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-one is C18H20N2O4.
What is the molecular weight of 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-one?
The molecular weight of 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-one is 328.14 g/mol.
Where can I buy 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-one?
You can request a quote for 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-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-4-(hydroxymethyl)-9H-xanthen-9-one?
Yes, KEHONG BIO provides custom synthesis services for 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.