5-Chloro-2-oxobenzoxazoline-6-sulphonyl chloride
TL;DR: 5-Chloro-2-oxobenzoxazoline-6-sulphonyl chloride (CAS 5791-05-9) is a chemical compound with molecular formula C7H3Cl2NO4S and molecular weight 266.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-oxo-3H-1,3-benzoxazole-6-sulfonyl chloride
Also Known As: 5-chloro-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl chloride, 5-Chloro-2-oxobenzoxazoline-6-sulphonyl chloride, 5-chloro-2-oxo-3H-1,3-benzoxazole-6-sulfonyl chloride, 5-Chloro-2,3-dihydro-2-oxobenzoxazole-6-sulfonic acid chloride, 5-chloro-6-chlorosulfonyl-3H-benzooxazol-2-one
| Molecular Formula | C7H3Cl2NO4S |
|---|---|
| Molecular Weight | 266.92 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 266.916 |
| Heavy Atoms | 15 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 5791-05-9 |
|---|---|
| SMILES | C1=C2C(=CC(=C1Cl)S(=O)(=O)Cl)OC(=O)N2 |
| InChIKey | BILROERYVIUOEP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-2-oxobenzoxazoline-6-sulphonyl chloride (CAS 5791-05-9), with molecular formula C7H3Cl2NO4S and molecular weight 266.92 g/mol. IUPAC: 5-chloro-2-oxo-3H-1,3-benzoxazole-6-sulfonyl chloride.
Chemical Property Profile of 5-Chloro-2-oxobenzoxazoline-6-sulphonyl chloride
Property Insights of 5-Chloro-2-oxobenzoxazoline-6-sulphonyl chloride
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2-oxobenzoxazoline-6-sulphonyl chloride. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-2-oxobenzoxazoline-6-sulphonyl chloride. Following Lipinski's Rule of Five, 5-Chloro-2-oxobenzoxazoline-6-sulphonyl chloride has 1 hydrogen bond donor(s) and 4 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 5-Chloro-2-oxobenzoxazoline-6-sulphonyl chloride?
The CAS number of 5-Chloro-2-oxobenzoxazoline-6-sulphonyl chloride is 5791-05-9.
What is the molecular formula of 5-Chloro-2-oxobenzoxazoline-6-sulphonyl chloride?
The molecular formula of 5-Chloro-2-oxobenzoxazoline-6-sulphonyl chloride is C7H3Cl2NO4S.
What is the molecular weight of 5-Chloro-2-oxobenzoxazoline-6-sulphonyl chloride?
The molecular weight of 5-Chloro-2-oxobenzoxazoline-6-sulphonyl chloride is 266.92 g/mol.
Where can I buy 5-Chloro-2-oxobenzoxazoline-6-sulphonyl chloride?
You can request a quote for 5-Chloro-2-oxobenzoxazoline-6-sulphonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-oxobenzoxazoline-6-sulphonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-oxobenzoxazoline-6-sulphonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.