4-Acetyl-3,4-dihydro-1lambda~6~,4-benzothiazine-1,1(2H)-dione
TL;DR: 4-Acetyl-3,4-dihydro-1lambda~6~,4-benzothiazine-1,1(2H)-dione (CAS 79602-52-1) is a chemical compound with molecular formula C10H11NO3S and molecular weight 225.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanone
Also Known As: 1-(1,1-dioxo-2,3-dihydro-1, 4-Acetyl-3,4-dihydro-1lambda~6~,4-benzothiazine-1,1(2H)-dione, 1-(1,1-dioxo-2,3-dihydro-1, E6,4-benzothiazin-4-yl)ethanone, 1-(1,1-dioxido-2,3-dihydro-4h-1,4-benzothiazin-4-yl)ethanone
| Molecular Formula | C10H11NO3S |
|---|---|
| Molecular Weight | 225.05 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 225.04596 |
| Heavy Atoms | 15 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 79602-52-1 |
|---|---|
| SMILES | CC(=O)N1CCS(=O)(=O)C2=CC=CC=C21 |
| InChIKey | ABHFOFRRTFPMLL-UHFFFAOYSA-N |
Product Overview
4-Acetyl-3,4-dihydro-1lambda~6~,4-benzothiazine-1,1(2H)-dione (CAS 79602-52-1), with molecular formula C10H11NO3S and molecular weight 225.05 g/mol. IUPAC: 1-(1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanone.
Chemical Property Profile of 4-Acetyl-3,4-dihydro-1lambda~6~,4-benzothiazine-1,1(2H)-dione
Property Insights of 4-Acetyl-3,4-dihydro-1lambda~6~,4-benzothiazine-1,1(2H)-dione
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetyl-3,4-dihydro-1lambda~6~,4-benzothiazine-1,1(2H)-dione. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetyl-3,4-dihydro-1lambda~6~,4-benzothiazine-1,1(2H)-dione. Following Lipinski's Rule of Five, 4-Acetyl-3,4-dihydro-1lambda~6~,4-benzothiazine-1,1(2H)-dione 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 4-Acetyl-3,4-dihydro-1lambda~6~,4-benzothiazine-1,1(2H)-dione?
The CAS number of 4-Acetyl-3,4-dihydro-1lambda~6~,4-benzothiazine-1,1(2H)-dione is 79602-52-1.
What is the molecular formula of 4-Acetyl-3,4-dihydro-1lambda~6~,4-benzothiazine-1,1(2H)-dione?
The molecular formula of 4-Acetyl-3,4-dihydro-1lambda~6~,4-benzothiazine-1,1(2H)-dione is C10H11NO3S.
What is the molecular weight of 4-Acetyl-3,4-dihydro-1lambda~6~,4-benzothiazine-1,1(2H)-dione?
The molecular weight of 4-Acetyl-3,4-dihydro-1lambda~6~,4-benzothiazine-1,1(2H)-dione is 225.05 g/mol.
Where can I buy 4-Acetyl-3,4-dihydro-1lambda~6~,4-benzothiazine-1,1(2H)-dione?
You can request a quote for 4-Acetyl-3,4-dihydro-1lambda~6~,4-benzothiazine-1,1(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetyl-3,4-dihydro-1lambda~6~,4-benzothiazine-1,1(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetyl-3,4-dihydro-1lambda~6~,4-benzothiazine-1,1(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.