2-(3-methylphenyl)-2H-1,2,4-benzothiadiazin-3-ol 1,1-dioxide
TL;DR: 2-(3-methylphenyl)-2H-1,2,4-benzothiadiazin-3-ol 1,1-dioxide (CAS 895644-67-4) is a chemical compound with molecular formula C14H12N2O3S and molecular weight 288.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
Also Known As: 2-(3-methylphenyl)-1,1-dioxo-4H-1, 2-(3-methylphenyl)-2H-1,2,4-benzothiadiazin-3-ol 1,1-dioxide, 2-(M-tolyl)-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide, 2-(3-methylphenyl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide, 2-(3-methylphenyl)-3,4-dihydro-2H-1??,2,4-benzothiadiazine-1,1,3-trione
| Molecular Formula | C14H12N2O3S |
|---|---|
| Molecular Weight | 288.06 g/mol |
| LogP | 2.73582 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.05685 |
| Heavy Atoms | 20 |
| Complexity | 799.5712 |
Chemical Identifiers
| CAS Number | 895644-67-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)NC3=CC=CC=C3S2(=O)=O |
Product Overview
2-(3-methylphenyl)-2H-1,2,4-benzothiadiazin-3-ol 1,1-dioxide (CAS 895644-67-4), with molecular formula C14H12N2O3S and molecular weight 288.06 g/mol. IUPAC: 2-(3-methylphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one.
Chemical Property Profile of 2-(3-methylphenyl)-2H-1,2,4-benzothiadiazin-3-ol 1,1-dioxide
Property Insights of 2-(3-methylphenyl)-2H-1,2,4-benzothiadiazin-3-ol 1,1-dioxide
The XLogP value of 2.73582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-methylphenyl)-2H-1,2,4-benzothiadiazin-3-ol 1,1-dioxide. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-methylphenyl)-2H-1,2,4-benzothiadiazin-3-ol 1,1-dioxide. Following Lipinski's Rule of Five, 2-(3-methylphenyl)-2H-1,2,4-benzothiadiazin-3-ol 1,1-dioxide 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 2-(3-methylphenyl)-2H-1,2,4-benzothiadiazin-3-ol 1,1-dioxide?
The CAS number of 2-(3-methylphenyl)-2H-1,2,4-benzothiadiazin-3-ol 1,1-dioxide is 895644-67-4.
What is the molecular formula of 2-(3-methylphenyl)-2H-1,2,4-benzothiadiazin-3-ol 1,1-dioxide?
The molecular formula of 2-(3-methylphenyl)-2H-1,2,4-benzothiadiazin-3-ol 1,1-dioxide is C14H12N2O3S.
What is the molecular weight of 2-(3-methylphenyl)-2H-1,2,4-benzothiadiazin-3-ol 1,1-dioxide?
The molecular weight of 2-(3-methylphenyl)-2H-1,2,4-benzothiadiazin-3-ol 1,1-dioxide is 288.06 g/mol.
Where can I buy 2-(3-methylphenyl)-2H-1,2,4-benzothiadiazin-3-ol 1,1-dioxide?
You can request a quote for 2-(3-methylphenyl)-2H-1,2,4-benzothiadiazin-3-ol 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 2-(3-methylphenyl)-2H-1,2,4-benzothiadiazin-3-ol 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-methylphenyl)-2H-1,2,4-benzothiadiazin-3-ol 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.