2H-1,2,3-benzothiadiazine-1,1-dione
TL;DR: 2H-1,2,3-benzothiadiazine-1,1-dione (CAS 21639-39-4) is a chemical compound with molecular formula C7H6N2O2S and molecular weight 182.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2H-1λ6,2,3-benzothiadiazine 1,1-dioxide
Also Known As: 2H-1,2,3-Benzothiadiazine 1,1-dioxide, benzothiadiazine s,s-dioxide, 2H-1,2,3-Benzothiadiazine-1,1-dione, 2H-1lambda6,2,3-benzothiadiazine-1,1-dione, 2H-1??,2,3-benzothiadiazine-1,1-dione
| Molecular Formula | C7H6N2O2S |
|---|---|
| Molecular Weight | 182.01 g/mol |
| LogP | 0.3124 |
| Topological Polar Surface Area | 58.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.015 |
| Heavy Atoms | 12 |
| Complexity | 436.47452 |
Chemical Identifiers
| CAS Number | 21639-39-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=NNS2(=O)=O |
Product Overview
2H-1,2,3-benzothiadiazine-1,1-dione (CAS 21639-39-4), with molecular formula C7H6N2O2S and molecular weight 182.01 g/mol. IUPAC: 2H-1λ6,2,3-benzothiadiazine 1,1-dioxide.
Chemical Property Profile of 2H-1,2,3-benzothiadiazine-1,1-dione
Property Insights of 2H-1,2,3-benzothiadiazine-1,1-dione
The XLogP value of 0.3124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,2,3-benzothiadiazine-1,1-dione. With a topological polar surface area (TPSA) of 58.53 Ų, 2H-1,2,3-benzothiadiazine-1,1-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,2,3-benzothiadiazine-1,1-dione has 1 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 2H-1,2,3-benzothiadiazine-1,1-dione?
The CAS number of 2H-1,2,3-benzothiadiazine-1,1-dione is 21639-39-4.
What is the molecular formula of 2H-1,2,3-benzothiadiazine-1,1-dione?
The molecular formula of 2H-1,2,3-benzothiadiazine-1,1-dione is C7H6N2O2S.
What is the molecular weight of 2H-1,2,3-benzothiadiazine-1,1-dione?
The molecular weight of 2H-1,2,3-benzothiadiazine-1,1-dione is 182.01 g/mol.
Where can I buy 2H-1,2,3-benzothiadiazine-1,1-dione?
You can request a quote for 2H-1,2,3-benzothiadiazine-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,2,3-benzothiadiazine-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,2,3-benzothiadiazine-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.