3,4-dihydro-2H-1,2,4-benzothiadiazine-1,1,3-trione
TL;DR: 3,4-dihydro-2H-1,2,4-benzothiadiazine-1,1,3-trione (CAS 208052-01-1) is a chemical compound with molecular formula C7H6N2O3S and molecular weight 198.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
Also Known As: 2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide, 1,1-dioxo-4H-1, 2H-Benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide, 1,1-Dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one, 2H-1,2,4-Benzothiadiazin-3(4H)-one, 1,1-dioxide
| Molecular Formula | C7H6N2O3S |
|---|---|
| Molecular Weight | 198.01 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.00992 |
| Heavy Atoms | 13 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 208052-01-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=O)NS2(=O)=O |
| InChIKey | QCHXXLQQTWUIRQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-dihydro-2H-1,2,4-benzothiadiazine-1,1,3-trione (CAS 208052-01-1), with molecular formula C7H6N2O3S and molecular weight 198.01 g/mol. IUPAC: 1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one.
Chemical Property Profile of 3,4-dihydro-2H-1,2,4-benzothiadiazine-1,1,3-trione
Property Insights of 3,4-dihydro-2H-1,2,4-benzothiadiazine-1,1,3-trione
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dihydro-2H-1,2,4-benzothiadiazine-1,1,3-trione. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dihydro-2H-1,2,4-benzothiadiazine-1,1,3-trione. Following Lipinski's Rule of Five, 3,4-dihydro-2H-1,2,4-benzothiadiazine-1,1,3-trione has 2 hydrogen bond donor(s) and 3 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 3,4-dihydro-2H-1,2,4-benzothiadiazine-1,1,3-trione?
The CAS number of 3,4-dihydro-2H-1,2,4-benzothiadiazine-1,1,3-trione is 208052-01-1.
What is the molecular formula of 3,4-dihydro-2H-1,2,4-benzothiadiazine-1,1,3-trione?
The molecular formula of 3,4-dihydro-2H-1,2,4-benzothiadiazine-1,1,3-trione is C7H6N2O3S.
What is the molecular weight of 3,4-dihydro-2H-1,2,4-benzothiadiazine-1,1,3-trione?
The molecular weight of 3,4-dihydro-2H-1,2,4-benzothiadiazine-1,1,3-trione is 198.01 g/mol.
Where can I buy 3,4-dihydro-2H-1,2,4-benzothiadiazine-1,1,3-trione?
You can request a quote for 3,4-dihydro-2H-1,2,4-benzothiadiazine-1,1,3-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dihydro-2H-1,2,4-benzothiadiazine-1,1,3-trione?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dihydro-2H-1,2,4-benzothiadiazine-1,1,3-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.