1-(2-Dimethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one
TL;DR: 1-(2-Dimethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one (CAS 86455-92-7) is a chemical compound with molecular formula C18H20N2O2S and molecular weight 328.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(dimethylamino)ethylamino]-4-(hydroxymethyl)thioxanthen-9-one
Also Known As: 1-(2-dimethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one, 1-[2-(dimethylamino)ethylamino]-4-(hydroxymethyl)thioxanthen, 1-[[2-(dimethylamino) ethyl]amino]-4-(hydroxymethyl)thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-4-(hydroxymethyl)-thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-4-(hydroxymethyl)thioxanthen-9-one
| Molecular Formula | C18H20N2O2S |
|---|---|
| Molecular Weight | 328.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.12454 |
| Heavy Atoms | 23 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 86455-92-7 |
|---|---|
| SMILES | CN(C)CCNC1=C2C(=C(C=C1)CO)SC3=CC=CC=C3C2=O |
| InChIKey | DCJKONNQRWODKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Dimethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one (CAS 86455-92-7), with molecular formula C18H20N2O2S and molecular weight 328.12 g/mol. IUPAC: 1-[2-(dimethylamino)ethylamino]-4-(hydroxymethyl)thioxanthen-9-one.
Chemical Property Profile of 1-(2-Dimethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one
Property Insights of 1-(2-Dimethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Dimethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Dimethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one. Following Lipinski's Rule of Five, 1-(2-Dimethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-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-Dimethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one?
The CAS number of 1-(2-Dimethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one is 86455-92-7.
What is the molecular formula of 1-(2-Dimethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one?
The molecular formula of 1-(2-Dimethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one is C18H20N2O2S.
What is the molecular weight of 1-(2-Dimethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one?
The molecular weight of 1-(2-Dimethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one is 328.12 g/mol.
Where can I buy 1-(2-Dimethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one?
You can request a quote for 1-(2-Dimethylaminoethylamino)-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-Dimethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Dimethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.