6-aminomethyl-3-methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide
TL;DR: 6-aminomethyl-3-methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide (CAS 80938-51-8) is a chemical compound with molecular formula C9H11N3O2S and molecular weight 225.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-yl)methanamine
Also Known As: AMBTD, (3-methyl-1,1-dioxo-4H-1, 6-aminomethyl-3-methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide, 6-Aminomethyl-methyl-4H-1,2,4-benzothiadiazine-1,1-dioxide, 4h-1,2,4-benzothiadiazine-6-methanamine, 3-methyl-, 1,1-dioxide
| Molecular Formula | C9H11N3O2S |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 92.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.0572 |
| Heavy Atoms | 15 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 80938-51-8 |
|---|---|
| SMILES | CC1=NS(=O)(=O)C2=C(N1)C=C(C=C2)CN |
| InChIKey | LBSXFXZKPFLDPO-UHFFFAOYSA-N |
Product Overview
6-aminomethyl-3-methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide (CAS 80938-51-8), with molecular formula C9H11N3O2S and molecular weight 225.06 g/mol. IUPAC: (3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-yl)methanamine.
Chemical Property Profile of 6-aminomethyl-3-methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide
Property Insights of 6-aminomethyl-3-methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide
The XLogP value of -0.8 indicates that 6-aminomethyl-3-methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-aminomethyl-3-methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide. Following Lipinski's Rule of Five, 6-aminomethyl-3-methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide has 2 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-aminomethyl-3-methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide?
The CAS number of 6-aminomethyl-3-methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide is 80938-51-8.
What is the molecular formula of 6-aminomethyl-3-methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide?
The molecular formula of 6-aminomethyl-3-methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide is C9H11N3O2S.
What is the molecular weight of 6-aminomethyl-3-methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide?
The molecular weight of 6-aminomethyl-3-methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide is 225.06 g/mol.
Where can I buy 6-aminomethyl-3-methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide?
You can request a quote for 6-aminomethyl-3-methyl-4H-1,2,4-benzothiadiazine 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 6-aminomethyl-3-methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 6-aminomethyl-3-methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.