![9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-4-nitro- structure](/static/products/805/80568-03-2.png)
9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-4-nitro-
TL;DR: 9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-4-nitro- (CAS 80568-03-2) is a chemical compound with molecular formula C17H17N3O3S and molecular weight 343.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(dimethylamino)ethylamino]-4-nitrothioxanthen-9-one
Also Known As: Thioxanthen-9-one der., NCI60_004089, 1-[2-(dimethylamino)ethylamino]-4-nitrothioxanthen-9-one, 9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-4-nitro-, 9H-Thioxanthen-9-one,1-[[2- ethyl]amino]-4-nitro-
| Molecular Formula | C17H17N3O3S |
|---|---|
| Molecular Weight | 343.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.09906 |
| Heavy Atoms | 24 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 80568-03-2 |
|---|---|
| SMILES | CN(C)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=CC=CC=C3C2=O |
| InChIKey | PEWQOANBYFRFKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-4-nitro- (CAS 80568-03-2), with molecular formula C17H17N3O3S and molecular weight 343.10 g/mol. IUPAC: 1-[2-(dimethylamino)ethylamino]-4-nitrothioxanthen-9-one.
Chemical Property Profile of 9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-4-nitro-
Property Insights of 9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-4-nitro-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-4-nitro-. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-4-nitro-. Following Lipinski's Rule of Five, 9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-4-nitro- has 1 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, 1-[[2-(dimethylamino)ethyl]amino]-4-nitro-?
The CAS number of 9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-4-nitro- is 80568-03-2.
What is the molecular formula of 9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-4-nitro-?
The molecular formula of 9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-4-nitro- is C17H17N3O3S.
What is the molecular weight of 9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-4-nitro-?
The molecular weight of 9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-4-nitro- is 343.10 g/mol.
Where can I buy 9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-4-nitro-?
You can request a quote for 9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-4-nitro- 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, 1-[[2-(dimethylamino)ethyl]amino]-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.