7-(4-Chlorobenzene-1-sulfinyl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole
TL;DR: 7-(4-Chlorobenzene-1-sulfinyl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole (CAS 53619-54-8) is a chemical compound with molecular formula C12H6ClN3O5S and molecular weight 338.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)sulfinyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
Also Known As: 7-(4-Chlorobenzene-1-sulfinyl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole, 4-(4-chlorophenyl)sulfinyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
| Molecular Formula | C12H6ClN3O5S |
|---|---|
| Molecular Weight | 338.97 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.97168 |
| Heavy Atoms | 22 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 53619-54-8 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-])Cl |
| InChIKey | DUZBREXPWPQFEE-UHFFFAOYSA-N |
Product Overview
7-(4-Chlorobenzene-1-sulfinyl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole (CAS 53619-54-8), with molecular formula C12H6ClN3O5S and molecular weight 338.97 g/mol. IUPAC: 4-(4-chlorophenyl)sulfinyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium.
Chemical Property Profile of 7-(4-Chlorobenzene-1-sulfinyl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole
Property Insights of 7-(4-Chlorobenzene-1-sulfinyl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(4-Chlorobenzene-1-sulfinyl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(4-Chlorobenzene-1-sulfinyl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole. Following Lipinski's Rule of Five, 7-(4-Chlorobenzene-1-sulfinyl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole has 0 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 7-(4-Chlorobenzene-1-sulfinyl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole?
The CAS number of 7-(4-Chlorobenzene-1-sulfinyl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole is 53619-54-8.
What is the molecular formula of 7-(4-Chlorobenzene-1-sulfinyl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole?
The molecular formula of 7-(4-Chlorobenzene-1-sulfinyl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole is C12H6ClN3O5S.
What is the molecular weight of 7-(4-Chlorobenzene-1-sulfinyl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole?
The molecular weight of 7-(4-Chlorobenzene-1-sulfinyl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole is 338.97 g/mol.
Where can I buy 7-(4-Chlorobenzene-1-sulfinyl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole?
You can request a quote for 7-(4-Chlorobenzene-1-sulfinyl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(4-Chlorobenzene-1-sulfinyl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 7-(4-Chlorobenzene-1-sulfinyl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.