6-(4-Dimethylaminophenyl)-1,3,5-thiadiazine-2,4-dione
TL;DR: 6-(4-Dimethylaminophenyl)-1,3,5-thiadiazine-2,4-dione (CAS 80784-83-4) is a chemical compound with molecular formula C11H11N3O2S and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-(dimethylamino)phenyl]-1,3,5-thiadiazine-2,4-dione
Also Known As: 6-(4-dimethylaminophenyl)-1,3,5-thiadiazine-2,4-dione, 6-[4-(dimethylamino)phenyl]-1,3,5-thiadiazine-2,4-dione, 6-[4-(Dimethylamino)phenyl]-2H-1,3,5-thiadiazine-2,4(3H)-dione, 2H-1,3,5-Thiadiazine-2,4(3H)-dione, 6-[4-(dimethylamino)phenyl]-
| Molecular Formula | C11H11N3O2S |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.0572 |
| Heavy Atoms | 17 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 80784-83-4 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2=NC(=O)NC(=O)S2 |
| InChIKey | QYPZHYAJLJYXIX-UHFFFAOYSA-N |
Product Overview
6-(4-Dimethylaminophenyl)-1,3,5-thiadiazine-2,4-dione (CAS 80784-83-4), with molecular formula C11H11N3O2S and molecular weight 249.06 g/mol. IUPAC: 6-[4-(dimethylamino)phenyl]-1,3,5-thiadiazine-2,4-dione.
Chemical Property Profile of 6-(4-Dimethylaminophenyl)-1,3,5-thiadiazine-2,4-dione
Property Insights of 6-(4-Dimethylaminophenyl)-1,3,5-thiadiazine-2,4-dione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-Dimethylaminophenyl)-1,3,5-thiadiazine-2,4-dione. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-Dimethylaminophenyl)-1,3,5-thiadiazine-2,4-dione. Following Lipinski's Rule of Five, 6-(4-Dimethylaminophenyl)-1,3,5-thiadiazine-2,4-dione has 1 hydrogen bond donor(s) and 4 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 6-(4-Dimethylaminophenyl)-1,3,5-thiadiazine-2,4-dione?
The CAS number of 6-(4-Dimethylaminophenyl)-1,3,5-thiadiazine-2,4-dione is 80784-83-4.
What is the molecular formula of 6-(4-Dimethylaminophenyl)-1,3,5-thiadiazine-2,4-dione?
The molecular formula of 6-(4-Dimethylaminophenyl)-1,3,5-thiadiazine-2,4-dione is C11H11N3O2S.
What is the molecular weight of 6-(4-Dimethylaminophenyl)-1,3,5-thiadiazine-2,4-dione?
The molecular weight of 6-(4-Dimethylaminophenyl)-1,3,5-thiadiazine-2,4-dione is 249.06 g/mol.
Where can I buy 6-(4-Dimethylaminophenyl)-1,3,5-thiadiazine-2,4-dione?
You can request a quote for 6-(4-Dimethylaminophenyl)-1,3,5-thiadiazine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-Dimethylaminophenyl)-1,3,5-thiadiazine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-Dimethylaminophenyl)-1,3,5-thiadiazine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.