3-Methyl-2,3-dihydro-1lambda~6~,2-benzothiazine-1,1,4-trione
TL;DR: 3-Methyl-2,3-dihydro-1lambda~6~,2-benzothiazine-1,1,4-trione (CAS 62054-41-5) is a chemical compound with molecular formula C9H9NO3S and molecular weight 211.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1,1-dioxo-2,3-dihydro-1λ6,2-benzothiazin-4-one
Also Known As: 3-methyl-1,1-dioxo-2,3-dihydro-1, 3-Methyl-2,3-dihydro-1lambda~6~,2-benzothiazine-1,1,4-trione, 3-methyl-1,1-dioxo-2,3-dihydro-1lambda6,2-benzothiazin-4-one
| Molecular Formula | C9H9NO3S |
|---|---|
| Molecular Weight | 211.03 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 71.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.03032 |
| Heavy Atoms | 14 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 62054-41-5 |
|---|---|
| SMILES | CC1C(=O)C2=CC=CC=C2S(=O)(=O)N1 |
| InChIKey | OGTAEPOXTPKGFF-UHFFFAOYSA-N |
Product Overview
3-Methyl-2,3-dihydro-1lambda~6~,2-benzothiazine-1,1,4-trione (CAS 62054-41-5), with molecular formula C9H9NO3S and molecular weight 211.03 g/mol. IUPAC: 3-methyl-1,1-dioxo-2,3-dihydro-1λ6,2-benzothiazin-4-one.
Chemical Property Profile of 3-Methyl-2,3-dihydro-1lambda~6~,2-benzothiazine-1,1,4-trione
Property Insights of 3-Methyl-2,3-dihydro-1lambda~6~,2-benzothiazine-1,1,4-trione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2,3-dihydro-1lambda~6~,2-benzothiazine-1,1,4-trione. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-2,3-dihydro-1lambda~6~,2-benzothiazine-1,1,4-trione. Following Lipinski's Rule of Five, 3-Methyl-2,3-dihydro-1lambda~6~,2-benzothiazine-1,1,4-trione has 1 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 3-Methyl-2,3-dihydro-1lambda~6~,2-benzothiazine-1,1,4-trione?
The CAS number of 3-Methyl-2,3-dihydro-1lambda~6~,2-benzothiazine-1,1,4-trione is 62054-41-5.
What is the molecular formula of 3-Methyl-2,3-dihydro-1lambda~6~,2-benzothiazine-1,1,4-trione?
The molecular formula of 3-Methyl-2,3-dihydro-1lambda~6~,2-benzothiazine-1,1,4-trione is C9H9NO3S.
What is the molecular weight of 3-Methyl-2,3-dihydro-1lambda~6~,2-benzothiazine-1,1,4-trione?
The molecular weight of 3-Methyl-2,3-dihydro-1lambda~6~,2-benzothiazine-1,1,4-trione is 211.03 g/mol.
Where can I buy 3-Methyl-2,3-dihydro-1lambda~6~,2-benzothiazine-1,1,4-trione?
You can request a quote for 3-Methyl-2,3-dihydro-1lambda~6~,2-benzothiazine-1,1,4-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2,3-dihydro-1lambda~6~,2-benzothiazine-1,1,4-trione?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2,3-dihydro-1lambda~6~,2-benzothiazine-1,1,4-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.