Methyl (1,1-dioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-3-yl)acetate
TL;DR: Methyl (1,1-dioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-3-yl)acetate (CAS 24448-54-2) is a chemical compound with molecular formula C10H11NO4S and molecular weight 241.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl)acetate
Also Known As: 1,2-Benzisothiazoline-3-acetic acid, methyl ester, 1,1-dioxide, methyl(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-3-yl)acetate, Methyl (1,1-dioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-3-yl)acetate, methyl 2-(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl)acetate, (1,1-dioxo-2,3-dihydro-1H-1
| Molecular Formula | C10H11NO4S |
|---|---|
| Molecular Weight | 241.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.04088 |
| Heavy Atoms | 16 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 24448-54-2 |
|---|---|
| SMILES | COC(=O)CC1C2=CC=CC=C2S(=O)(=O)N1 |
| InChIKey | RCLRCEOXSRMFPJ-UHFFFAOYSA-N |
Product Overview
Methyl (1,1-dioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-3-yl)acetate (CAS 24448-54-2), with molecular formula C10H11NO4S and molecular weight 241.04 g/mol. IUPAC: methyl 2-(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl)acetate.
Chemical Property Profile of Methyl (1,1-dioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-3-yl)acetate
Property Insights of Methyl (1,1-dioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-3-yl)acetate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (1,1-dioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-3-yl)acetate. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (1,1-dioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-3-yl)acetate. Following Lipinski's Rule of Five, Methyl (1,1-dioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-3-yl)acetate has 1 hydrogen bond donor(s) and 5 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 Methyl (1,1-dioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-3-yl)acetate?
The CAS number of Methyl (1,1-dioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-3-yl)acetate is 24448-54-2.
What is the molecular formula of Methyl (1,1-dioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-3-yl)acetate?
The molecular formula of Methyl (1,1-dioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-3-yl)acetate is C10H11NO4S.
What is the molecular weight of Methyl (1,1-dioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-3-yl)acetate?
The molecular weight of Methyl (1,1-dioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-3-yl)acetate is 241.04 g/mol.
Where can I buy Methyl (1,1-dioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-3-yl)acetate?
You can request a quote for Methyl (1,1-dioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-3-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (1,1-dioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (1,1-dioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.