1-(2-Diethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one
TL;DR: 1-(2-Diethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one (CAS 86455-90-5) is a chemical compound with molecular formula C20H24N2O3S and molecular weight 372.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(diethylamino)ethylamino]-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one
Also Known As: 9H-Thioxanthen-9-one der., 1-(2-diethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one, 1-[2-(diethylamino)ethylamino]-7-hydroxy-4-(hydroxymethyl)th, 1-{[2-(DIETHYLAMINO)ETHYL]AMINO}-7-HYDROXY-4-(HYDROXYMETHYL)-9H-THIOXANTHEN-9-ONE, 9H-Thioxanthen-9-one, 1-[[2-(diethylamino)ethyl]amino]-7-hydroxy-4-(hydroxymethyl)-
| Molecular Formula | C20H24N2O3S |
|---|---|
| Molecular Weight | 372.15 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 372.15076 |
| Heavy Atoms | 26 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 86455-90-5 |
|---|---|
| SMILES | CCN(CC)CCNC1=C2C(=C(C=C1)CO)SC3=C(C2=O)C=C(C=C3)O |
| InChIKey | UOFBHISZBBMGRO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Diethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one (CAS 86455-90-5), with molecular formula C20H24N2O3S and molecular weight 372.15 g/mol. IUPAC: 1-[2-(diethylamino)ethylamino]-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one.
Chemical Property Profile of 1-(2-Diethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one
Property Insights of 1-(2-Diethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Diethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Diethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one. Following Lipinski's Rule of Five, 1-(2-Diethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)thioxanthen-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-Diethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one?
The CAS number of 1-(2-Diethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one is 86455-90-5.
What is the molecular formula of 1-(2-Diethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one?
The molecular formula of 1-(2-Diethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one is C20H24N2O3S.
What is the molecular weight of 1-(2-Diethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one?
The molecular weight of 1-(2-Diethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one is 372.15 g/mol.
Where can I buy 1-(2-Diethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one?
You can request a quote for 1-(2-Diethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)thioxanthen-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-Diethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Diethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.