9H-Thioxanthen-9-one der.
TL;DR: 9H-Thioxanthen-9-one der. (CAS 86455-91-6) is a chemical compound with molecular formula C18H20N2O3S and molecular weight 344.12 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)thioxanthen-9-one
Also Known As: 9H-Thioxanthen-9-one der., NCI60_002928, 9H-Thioxanthen-9-one, 1-((2-(dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-, 9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-7-hydroxy-4-(hydroxymethyl)-, 1-(2-dimethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one
| Molecular Formula | C18H20N2O3S |
|---|---|
| Molecular Weight | 344.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.11948 |
| Heavy Atoms | 24 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 86455-91-6 |
|---|---|
| SMILES | CN(C)CCNC1=C2C(=C(C=C1)CO)SC3=C(C2=O)C=C(C=C3)O |
| InChIKey | YDQFGJFCLNZQJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9H-Thioxanthen-9-one der. (CAS 86455-91-6), with molecular formula C18H20N2O3S and molecular weight 344.12 g/mol. IUPAC: 1-[2-(dimethylamino)ethylamino]-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one.
Chemical Property Profile of 9H-Thioxanthen-9-one der.
Property Insights of 9H-Thioxanthen-9-one der.
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-Thioxanthen-9-one der.. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-Thioxanthen-9-one der.. Following Lipinski's Rule of Five, 9H-Thioxanthen-9-one der. 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 9H-Thioxanthen-9-one der.?
The CAS number of 9H-Thioxanthen-9-one der. is 86455-91-6.
What is the molecular formula of 9H-Thioxanthen-9-one der.?
The molecular formula of 9H-Thioxanthen-9-one der. is C18H20N2O3S.
What is the molecular weight of 9H-Thioxanthen-9-one der.?
The molecular weight of 9H-Thioxanthen-9-one der. is 344.12 g/mol.
Where can I buy 9H-Thioxanthen-9-one der.?
You can request a quote for 9H-Thioxanthen-9-one der. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Thioxanthen-9-one der.?
Yes, KEHONG BIO provides custom synthesis services for 9H-Thioxanthen-9-one der. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.