![5-[2-(Dimethylamino)ethyl-methylamino]benzo[f][2]benzothiole-4,9-dione structure](/static/products/894/89479-41-4.png)
5-[2-(Dimethylamino)ethyl-methylamino]benzo[f][2]benzothiole-4,9-dione
TL;DR: 5-[2-(Dimethylamino)ethyl-methylamino]benzo[f][2]benzothiole-4,9-dione (CAS 89479-41-4) is a chemical compound with molecular formula C17H18N2O2S and molecular weight 314.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(dimethylamino)ethyl-methylamino]benzo[f][2]benzothiole-4,9-dione
Also Known As: 5-[2-(dimethylamino)ethyl-methylamino]benzo[f][2]benzothiole, 5-[2-(dimethylamino)ethyl-methylamino]benzo[f][2]benzothiole-4,9-dione, 5-[2-dimethylaminoethyl(methyl)amino]benzo[f][2]benzothiole-4,9-dione, 5-{[2-(DIMETHYLAMINO)ETHYL](METHYL)AMINO}NAPHTHO[2,3-C]THIOPHENE-4,9-DIONE
| Molecular Formula | C17H18N2O2S |
|---|---|
| Molecular Weight | 314.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.1089 |
| Heavy Atoms | 22 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 89479-41-4 |
|---|---|
| SMILES | CN(C)CCN(C)C1=CC=CC2=C1C(=O)C3=CSC=C3C2=O |
| InChIKey | DLVLJLSBAHBMGL-UHFFFAOYSA-N |
Product Overview
5-[2-(Dimethylamino)ethyl-methylamino]benzo[f][2]benzothiole-4,9-dione (CAS 89479-41-4), with molecular formula C17H18N2O2S and molecular weight 314.11 g/mol. IUPAC: 5-[2-(dimethylamino)ethyl-methylamino]benzo[f][2]benzothiole-4,9-dione.
Chemical Property Profile of 5-[2-(Dimethylamino)ethyl-methylamino]benzo[f][2]benzothiole-4,9-dione
Property Insights of 5-[2-(Dimethylamino)ethyl-methylamino]benzo[f][2]benzothiole-4,9-dione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[2-(Dimethylamino)ethyl-methylamino]benzo[f][2]benzothiole-4,9-dione. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[2-(Dimethylamino)ethyl-methylamino]benzo[f][2]benzothiole-4,9-dione. Following Lipinski's Rule of Five, 5-[2-(Dimethylamino)ethyl-methylamino]benzo[f][2]benzothiole-4,9-dione has 0 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 5-[2-(Dimethylamino)ethyl-methylamino]benzo[f][2]benzothiole-4,9-dione?
The CAS number of 5-[2-(Dimethylamino)ethyl-methylamino]benzo[f][2]benzothiole-4,9-dione is 89479-41-4.
What is the molecular formula of 5-[2-(Dimethylamino)ethyl-methylamino]benzo[f][2]benzothiole-4,9-dione?
The molecular formula of 5-[2-(Dimethylamino)ethyl-methylamino]benzo[f][2]benzothiole-4,9-dione is C17H18N2O2S.
What is the molecular weight of 5-[2-(Dimethylamino)ethyl-methylamino]benzo[f][2]benzothiole-4,9-dione?
The molecular weight of 5-[2-(Dimethylamino)ethyl-methylamino]benzo[f][2]benzothiole-4,9-dione is 314.11 g/mol.
Where can I buy 5-[2-(Dimethylamino)ethyl-methylamino]benzo[f][2]benzothiole-4,9-dione?
You can request a quote for 5-[2-(Dimethylamino)ethyl-methylamino]benzo[f][2]benzothiole-4,9-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[2-(Dimethylamino)ethyl-methylamino]benzo[f][2]benzothiole-4,9-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-[2-(Dimethylamino)ethyl-methylamino]benzo[f][2]benzothiole-4,9-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.