2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, bis(disodiumphosphate)(ester)
TL;DR: 2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, bis(disodiumphosphate)(ester) (CAS 53552-25-3) is a chemical compound with molecular formula C7H4N2Na4O8P2S and molecular weight 429.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;(5-methyl-4-phosphonatooxy-2,1,3-benzothiadiazol-7-yl) phosphate
Also Known As: tetrasodium (4-methyl-2-phosphonatooxy-8, 2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, bis(disodiumphosphate)(ester), 5-Methyl-2,1,3-benzothia(S IV)diazole-4,7-diol bis(disodiumphosphate)(ester), Tetrasodium 5-methyl-2,1,3-benzothiadiazole-4,7-diyl bis(phosphate), RefChem:241835
| Molecular Formula | C7H4N2Na4O8P2S |
|---|---|
| Molecular Weight | 429.88 g/mol |
| LogP | -13.56928 |
| Topological Polar Surface Area | 170.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.87543 |
| Heavy Atoms | 24 |
| Complexity | 764.20905 |
Chemical Identifiers
| CAS Number | 53552-25-3 |
|---|---|
| SMILES | CC1=C(C2=NSN=C2C(=C1)OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+] |
Product Overview
2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, bis(disodiumphosphate)(ester) (CAS 53552-25-3), with molecular formula C7H4N2Na4O8P2S and molecular weight 429.88 g/mol. IUPAC: tetrasodium;(5-methyl-4-phosphonatooxy-2,1,3-benzothiadiazol-7-yl) phosphate.
Chemical Property Profile of 2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, bis(disodiumphosphate)(ester)
Property Insights of 2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, bis(disodiumphosphate)(ester)
The XLogP value of -13.56928 indicates that 2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, bis(disodiumphosphate)(ester) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 170.62 Ų indicates high polarity, suggesting 2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, bis(disodiumphosphate)(ester) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, bis(disodiumphosphate)(ester) has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, bis(disodiumphosphate)(ester)?
The CAS number of 2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, bis(disodiumphosphate)(ester) is 53552-25-3.
What is the molecular formula of 2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, bis(disodiumphosphate)(ester)?
The molecular formula of 2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, bis(disodiumphosphate)(ester) is C7H4N2Na4O8P2S.
What is the molecular weight of 2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, bis(disodiumphosphate)(ester)?
The molecular weight of 2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, bis(disodiumphosphate)(ester) is 429.88 g/mol.
Where can I buy 2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, bis(disodiumphosphate)(ester)?
You can request a quote for 2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, bis(disodiumphosphate)(ester) 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-, bis(disodiumphosphate)(ester)?
Yes, KEHONG BIO provides custom synthesis services for 2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, bis(disodiumphosphate)(ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.