4H-1,2,4-Benzothiadiazine, 3-chloro-4-methyl-, 1,1-dioxide
TL;DR: 4H-1,2,4-Benzothiadiazine, 3-chloro-4-methyl-, 1,1-dioxide (CAS 107089-76-9) is a chemical compound with molecular formula C8H7ClN2O2S and molecular weight 229.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
Also Known As: 3-chloro-4-methyl-1, 4H-1,2,4-Benzothiadiazine, 3-chloro-4-methyl-, 1,1-dioxide, 3-Chloro-4-methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide, NCI60_003487, 1C-019
| Molecular Formula | C8H7ClN2O2S |
|---|---|
| Molecular Weight | 229.99 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 58.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 229.99167 |
| Heavy Atoms | 14 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 107089-76-9 |
|---|---|
| SMILES | CN1C2=CC=CC=C2S(=O)(=O)N=C1Cl |
| InChIKey | RCISZGZSERFAFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4H-1,2,4-Benzothiadiazine, 3-chloro-4-methyl-, 1,1-dioxide (CAS 107089-76-9), with molecular formula C8H7ClN2O2S and molecular weight 229.99 g/mol. IUPAC: 3-chloro-4-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide.
Chemical Property Profile of 4H-1,2,4-Benzothiadiazine, 3-chloro-4-methyl-, 1,1-dioxide
Property Insights of 4H-1,2,4-Benzothiadiazine, 3-chloro-4-methyl-, 1,1-dioxide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,2,4-Benzothiadiazine, 3-chloro-4-methyl-, 1,1-dioxide. With a topological polar surface area (TPSA) of 58.1 Ų, 4H-1,2,4-Benzothiadiazine, 3-chloro-4-methyl-, 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1,2,4-Benzothiadiazine, 3-chloro-4-methyl-, 1,1-dioxide has 0 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 4H-1,2,4-Benzothiadiazine, 3-chloro-4-methyl-, 1,1-dioxide?
The CAS number of 4H-1,2,4-Benzothiadiazine, 3-chloro-4-methyl-, 1,1-dioxide is 107089-76-9.
What is the molecular formula of 4H-1,2,4-Benzothiadiazine, 3-chloro-4-methyl-, 1,1-dioxide?
The molecular formula of 4H-1,2,4-Benzothiadiazine, 3-chloro-4-methyl-, 1,1-dioxide is C8H7ClN2O2S.
What is the molecular weight of 4H-1,2,4-Benzothiadiazine, 3-chloro-4-methyl-, 1,1-dioxide?
The molecular weight of 4H-1,2,4-Benzothiadiazine, 3-chloro-4-methyl-, 1,1-dioxide is 229.99 g/mol.
Where can I buy 4H-1,2,4-Benzothiadiazine, 3-chloro-4-methyl-, 1,1-dioxide?
You can request a quote for 4H-1,2,4-Benzothiadiazine, 3-chloro-4-methyl-, 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,2,4-Benzothiadiazine, 3-chloro-4-methyl-, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,2,4-Benzothiadiazine, 3-chloro-4-methyl-, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.