2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, diacetate
TL;DR: 2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, diacetate (CAS 53552-21-9) is a chemical compound with molecular formula C11H10N2O4S and molecular weight 266.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetyloxy-5-methyl-2,1,3-benzothiadiazol-7-yl) acetate
Also Known As: (5-acetyloxy-4-methyl-8, 2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, diacetate, 5-Methyl-2,1,3-benzothia(S IV)diazole-4,7-diol diacetate, 5-methyl-4,7-diacetoxybenzo-2,1,3-thiadiazole, 5-Methyl-2,1,3-benzothiadiazole-4,7-diyl diacetate
| Molecular Formula | C11H10N2O4S |
|---|---|
| Molecular Weight | 266.04 g/mol |
| LogP | 1.85032 |
| Topological Polar Surface Area | 78.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.03613 |
| Heavy Atoms | 18 |
| Complexity | 635.25006 |
Chemical Identifiers
| CAS Number | 53552-21-9 |
|---|---|
| SMILES | CC1=C(C2=NSN=C2C(=C1)OC(=O)C)OC(=O)C |
Product Overview
2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, diacetate (CAS 53552-21-9), with molecular formula C11H10N2O4S and molecular weight 266.04 g/mol. IUPAC: (4-acetyloxy-5-methyl-2,1,3-benzothiadiazol-7-yl) acetate.
Chemical Property Profile of 2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, diacetate
Property Insights of 2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, diacetate
The XLogP value of 1.85032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, diacetate. The TPSA of 78.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, diacetate. Following Lipinski's Rule of Five, 2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, diacetate has 0 hydrogen bond donor(s) and 7 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-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, diacetate?
The CAS number of 2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, diacetate is 53552-21-9.
What is the molecular formula of 2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, diacetate?
The molecular formula of 2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, diacetate is C11H10N2O4S.
What is the molecular weight of 2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, diacetate?
The molecular weight of 2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, diacetate is 266.04 g/mol.
Where can I buy 2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, diacetate?
You can request a quote for 2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, diacetate 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-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, diacetate?
Yes, KEHONG BIO provides custom synthesis services for 2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.