N-(2,1,3-benzothiadiazol-4-ylsulfonyl)aspartic acid
TL;DR: N-(2,1,3-benzothiadiazol-4-ylsulfonyl)aspartic acid (CAS 1008984-33-5) is a chemical compound with molecular formula C10H9N3O6S2 and molecular weight 330.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanedioic acid
Also Known As: BAS 05253288, N-(2,1,3-benzothiadiazol-4-ylsulfonyl)aspartic acid, 2-(benzo[c][1,2,5]thiadiazole-4-sulfonamido)succinic acid, 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanedioic acid
| Molecular Formula | C10H9N3O6S2 |
|---|---|
| Molecular Weight | 330.99 g/mol |
| LogP | -0.1025 |
| Topological Polar Surface Area | 146.55 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.9933 |
| Heavy Atoms | 21 |
| Complexity | 799.9809 |
Chemical Identifiers
| CAS Number | 1008984-33-5 |
|---|---|
| SMILES | C1=CC2=NSN=C2C(=C1)S(=O)(=O)NC(CC(=O)O)C(=O)O |
Product Overview
N-(2,1,3-benzothiadiazol-4-ylsulfonyl)aspartic acid (CAS 1008984-33-5), with molecular formula C10H9N3O6S2 and molecular weight 330.99 g/mol. IUPAC: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanedioic acid.
Chemical Property Profile of N-(2,1,3-benzothiadiazol-4-ylsulfonyl)aspartic acid
Property Insights of N-(2,1,3-benzothiadiazol-4-ylsulfonyl)aspartic acid
The XLogP value of -0.1025 indicates that N-(2,1,3-benzothiadiazol-4-ylsulfonyl)aspartic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.55 Ų indicates high polarity, suggesting N-(2,1,3-benzothiadiazol-4-ylsulfonyl)aspartic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(2,1,3-benzothiadiazol-4-ylsulfonyl)aspartic acid has 3 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 N-(2,1,3-benzothiadiazol-4-ylsulfonyl)aspartic acid?
The CAS number of N-(2,1,3-benzothiadiazol-4-ylsulfonyl)aspartic acid is 1008984-33-5.
What is the molecular formula of N-(2,1,3-benzothiadiazol-4-ylsulfonyl)aspartic acid?
The molecular formula of N-(2,1,3-benzothiadiazol-4-ylsulfonyl)aspartic acid is C10H9N3O6S2.
What is the molecular weight of N-(2,1,3-benzothiadiazol-4-ylsulfonyl)aspartic acid?
The molecular weight of N-(2,1,3-benzothiadiazol-4-ylsulfonyl)aspartic acid is 330.99 g/mol.
Where can I buy N-(2,1,3-benzothiadiazol-4-ylsulfonyl)aspartic acid?
You can request a quote for N-(2,1,3-benzothiadiazol-4-ylsulfonyl)aspartic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,1,3-benzothiadiazol-4-ylsulfonyl)aspartic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(2,1,3-benzothiadiazol-4-ylsulfonyl)aspartic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.