2,1,3-Benzothiadiazol-4-yl acetate
TL;DR: 2,1,3-Benzothiadiazol-4-yl acetate (CAS 1753-22-6) is a chemical compound with molecular formula C8H6N2O2S and molecular weight 194.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,1,3-benzothiadiazol-4-yl acetate
Also Known As: 2,1,3-Benzothiadiazol-4-yl acetate, 2,1,3-Benzothiadiazol-4-ol, 4-acetate, NIOSH/DL0176600, 4-acetoxybenzo-2,1,3-thiadiazole, 2,1,3-Benzothiadiazol-4-yl acetate #
| Molecular Formula | C8H6N2O2S |
|---|---|
| Molecular Weight | 194.01 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.015 |
| Heavy Atoms | 13 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 1753-22-6 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC2=NSN=C21 |
| InChIKey | CTBOBKQTPHUAAY-UHFFFAOYSA-N |
Product Overview
2,1,3-Benzothiadiazol-4-yl acetate (CAS 1753-22-6), with molecular formula C8H6N2O2S and molecular weight 194.01 g/mol. IUPAC: 2,1,3-benzothiadiazol-4-yl acetate.
Chemical Property Profile of 2,1,3-Benzothiadiazol-4-yl acetate
Property Insights of 2,1,3-Benzothiadiazol-4-yl acetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,1,3-Benzothiadiazol-4-yl acetate. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,1,3-Benzothiadiazol-4-yl acetate. Following Lipinski's Rule of Five, 2,1,3-Benzothiadiazol-4-yl acetate has 0 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 2,1,3-Benzothiadiazol-4-yl acetate?
The CAS number of 2,1,3-Benzothiadiazol-4-yl acetate is 1753-22-6.
What is the molecular formula of 2,1,3-Benzothiadiazol-4-yl acetate?
The molecular formula of 2,1,3-Benzothiadiazol-4-yl acetate is C8H6N2O2S.
What is the molecular weight of 2,1,3-Benzothiadiazol-4-yl acetate?
The molecular weight of 2,1,3-Benzothiadiazol-4-yl acetate is 194.01 g/mol.
Where can I buy 2,1,3-Benzothiadiazol-4-yl acetate?
You can request a quote for 2,1,3-Benzothiadiazol-4-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,1,3-Benzothiadiazol-4-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2,1,3-Benzothiadiazol-4-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.