4-(Benzylsulfonyl)-7-(hydroxy(oxido)amino)-2,1,3-benzoxadiazole
TL;DR: 4-(Benzylsulfonyl)-7-(hydroxy(oxido)amino)-2,1,3-benzoxadiazole (CAS 53619-72-0) is a chemical compound with molecular formula C13H9N3O5S and molecular weight 319.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzylsulfonyl-7-nitro-2,1,3-benzoxadiazole
Also Known As: NCIStruc1_001818, NCIStruc2_001316, NCI60_001861, 4-benzylsulfonyl-7-nitro-2,1,3-benzoxadiazole, 4-(benzylsulfonyl)-7-(hydroxy(oxido)amino)-2,1,3-benzoxadiazole
| Molecular Formula | C13H9N3O5S |
|---|---|
| Molecular Weight | 319.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.0263 |
| Heavy Atoms | 22 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 53619-72-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)C2=CC=C(C3=NON=C23)[N+](=O)[O-] |
| InChIKey | PVMUCEMCWMKDMP-UHFFFAOYSA-N |
Product Overview
4-(Benzylsulfonyl)-7-(hydroxy(oxido)amino)-2,1,3-benzoxadiazole (CAS 53619-72-0), with molecular formula C13H9N3O5S and molecular weight 319.03 g/mol. IUPAC: 4-benzylsulfonyl-7-nitro-2,1,3-benzoxadiazole.
Chemical Property Profile of 4-(Benzylsulfonyl)-7-(hydroxy(oxido)amino)-2,1,3-benzoxadiazole
Property Insights of 4-(Benzylsulfonyl)-7-(hydroxy(oxido)amino)-2,1,3-benzoxadiazole
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Benzylsulfonyl)-7-(hydroxy(oxido)amino)-2,1,3-benzoxadiazole. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Benzylsulfonyl)-7-(hydroxy(oxido)amino)-2,1,3-benzoxadiazole. Following Lipinski's Rule of Five, 4-(Benzylsulfonyl)-7-(hydroxy(oxido)amino)-2,1,3-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 4-(Benzylsulfonyl)-7-(hydroxy(oxido)amino)-2,1,3-benzoxadiazole?
The CAS number of 4-(Benzylsulfonyl)-7-(hydroxy(oxido)amino)-2,1,3-benzoxadiazole is 53619-72-0.
What is the molecular formula of 4-(Benzylsulfonyl)-7-(hydroxy(oxido)amino)-2,1,3-benzoxadiazole?
The molecular formula of 4-(Benzylsulfonyl)-7-(hydroxy(oxido)amino)-2,1,3-benzoxadiazole is C13H9N3O5S.
What is the molecular weight of 4-(Benzylsulfonyl)-7-(hydroxy(oxido)amino)-2,1,3-benzoxadiazole?
The molecular weight of 4-(Benzylsulfonyl)-7-(hydroxy(oxido)amino)-2,1,3-benzoxadiazole is 319.03 g/mol.
Where can I buy 4-(Benzylsulfonyl)-7-(hydroxy(oxido)amino)-2,1,3-benzoxadiazole?
You can request a quote for 4-(Benzylsulfonyl)-7-(hydroxy(oxido)amino)-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-(Benzylsulfonyl)-7-(hydroxy(oxido)amino)-2,1,3-benzoxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzylsulfonyl)-7-(hydroxy(oxido)amino)-2,1,3-benzoxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.