4-Chloro-2,1,3-benzoxadiazole-7-sulfonate
TL;DR: 4-Chloro-2,1,3-benzoxadiazole-7-sulfonate (CAS 81377-14-2) is a chemical compound with molecular formula C6H2ClN2O4S- and molecular weight 232.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2,1,3-benzoxadiazole-7-sulfonate
Also Known As: ACSBF, 4-Chloro-7-sulfobenzofurazan, Ammonium 4-chloro-7-sulfobenzofurazan, 4-chloro-2,1,3-benzoxadiazole-7-sulfonate, 7-chloro-2,1,3-benzoxadiazole-4-sulfonate
| Molecular Formula | C6H2ClN2O4S- |
|---|---|
| Molecular Weight | 232.94 g/mol |
| LogP | 0.7803 |
| Topological Polar Surface Area | 96.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.94238 |
| Heavy Atoms | 14 |
| Complexity | 590.89734 |
Chemical Identifiers
| CAS Number | 81377-14-2 |
|---|---|
| SMILES | C1=C(C2=NON=C2C(=C1)Cl)S(=O)(=O)[O-] |
Product Overview
4-Chloro-2,1,3-benzoxadiazole-7-sulfonate (CAS 81377-14-2), with molecular formula C6H2ClN2O4S- and molecular weight 232.94 g/mol. IUPAC: 4-chloro-2,1,3-benzoxadiazole-7-sulfonate.
Chemical Property Profile of 4-Chloro-2,1,3-benzoxadiazole-7-sulfonate
Property Insights of 4-Chloro-2,1,3-benzoxadiazole-7-sulfonate
The XLogP value of 0.7803 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2,1,3-benzoxadiazole-7-sulfonate. The TPSA of 96.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-2,1,3-benzoxadiazole-7-sulfonate. Following Lipinski's Rule of Five, 4-Chloro-2,1,3-benzoxadiazole-7-sulfonate has 0 hydrogen bond donor(s) and 6 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 4-Chloro-2,1,3-benzoxadiazole-7-sulfonate?
The CAS number of 4-Chloro-2,1,3-benzoxadiazole-7-sulfonate is 81377-14-2.
What is the molecular formula of 4-Chloro-2,1,3-benzoxadiazole-7-sulfonate?
The molecular formula of 4-Chloro-2,1,3-benzoxadiazole-7-sulfonate is C6H2ClN2O4S-.
What is the molecular weight of 4-Chloro-2,1,3-benzoxadiazole-7-sulfonate?
The molecular weight of 4-Chloro-2,1,3-benzoxadiazole-7-sulfonate is 232.94 g/mol.
Where can I buy 4-Chloro-2,1,3-benzoxadiazole-7-sulfonate?
You can request a quote for 4-Chloro-2,1,3-benzoxadiazole-7-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2,1,3-benzoxadiazole-7-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2,1,3-benzoxadiazole-7-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.