4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole
TL;DR: 4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole (CAS 142246-48-8) is a chemical compound with molecular formula C6H2Cl2N2O3S and molecular weight 251.92 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-sulfonyl chloride
Also Known As: 4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole, 7-Chloro-2,1,3-benzoxadiazole-4-sulfonyl chloride, IOXAGLICACID(100MG), 4-Chloro-2,1,3-benzoxadiazole-7-sulfonyl Chloride, 7-Chloro-benzo[1,2,5]oxadiazole-4-sulfonyl chloride
| Molecular Formula | C6H2Cl2N2O3S |
|---|---|
| Molecular Weight | 251.92 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.91632 |
| Heavy Atoms | 14 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 142246-48-8 |
|---|---|
| SMILES | C1=C(C2=NON=C2C(=C1)Cl)S(=O)(=O)Cl |
| InChIKey | BPPRLMZEVZSIIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole (CAS 142246-48-8), with molecular formula C6H2Cl2N2O3S and molecular weight 251.92 g/mol. IUPAC: 4-chloro-2,1,3-benzoxadiazole-7-sulfonyl chloride.
Chemical Property Profile of 4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole
Property Insights of 4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole. Following Lipinski's Rule of Five, 4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole 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 4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole?
The CAS number of 4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole is 142246-48-8.
What is the molecular formula of 4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole?
The molecular formula of 4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole is C6H2Cl2N2O3S.
What is the molecular weight of 4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole?
The molecular weight of 4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole is 251.92 g/mol.
Where can I buy 4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole?
You can request a quote for 4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.