Thioxanthone
TL;DR: Thioxanthone (CAS 155990-20-8) is a chemical compound with molecular formula C22H27N3O3S and molecular weight 413.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[1-[2-(diethylamino)ethylamino]-7-methoxy-9-oxothioxanthen-4-yl]methyl]formamide
Also Known As: Thioxanthone, Tox21_300233, Formamide, N-((1-((2-(diethylamino)ethyl)amino)-7-methoxy-9-oxo-9H-thioxanthen-4-yl)methyl)-, CAS-155990-20-8, J1.562.438H
| Molecular Formula | C22H27N3O3S |
|---|---|
| Molecular Weight | 413.18 g/mol |
| LogP | 3.423 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 413.1773 |
| Heavy Atoms | 29 |
| Complexity | 1060.5215 |
Chemical Identifiers
| CAS Number | 155990-20-8 |
|---|---|
| SMILES | CCN(CC)CCNC1=C2C(=C(C=C1)CNC=O)SC3=C(C2=O)C=C(C=C3)OC |
Product Overview
Thioxanthone (CAS 155990-20-8), with molecular formula C22H27N3O3S and molecular weight 413.18 g/mol. IUPAC: N-[[1-[2-(diethylamino)ethylamino]-7-methoxy-9-oxothioxanthen-4-yl]methyl]formamide.
Chemical Property Profile of Thioxanthone
Property Insights of Thioxanthone
The XLogP value of 3.423 indicates that Thioxanthone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Thioxanthone. Following Lipinski's Rule of Five, Thioxanthone has 2 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 Thioxanthone?
The CAS number of Thioxanthone is 155990-20-8.
What is the molecular formula of Thioxanthone?
The molecular formula of Thioxanthone is C22H27N3O3S.
What is the molecular weight of Thioxanthone?
The molecular weight of Thioxanthone is 413.18 g/mol.
Where can I buy Thioxanthone?
You can request a quote for Thioxanthone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thioxanthone?
Yes, KEHONG BIO provides custom synthesis services for Thioxanthone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.