![7-[(4-Methylphenyl)sulfanyl]-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole structure](/static/products/5361/53619-47-9.webp)
7-[(4-Methylphenyl)sulfanyl]-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole
TL;DR: 7-[(4-Methylphenyl)sulfanyl]-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole (CAS 53619-47-9) is a chemical compound with molecular formula C13H9N3O4S and molecular weight 303.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)sulfanyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
Also Known As: 7-[(4-Methylphenyl)sulfanyl]-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole, 4-(4-methylphenyl)sulfanyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
| Molecular Formula | C13H9N3O4S |
|---|---|
| Molecular Weight | 303.03 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.03137 |
| Heavy Atoms | 21 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 53619-47-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-] |
| InChIKey | VFFPXCZPMDJRBN-UHFFFAOYSA-N |
Product Overview
7-[(4-Methylphenyl)sulfanyl]-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole (CAS 53619-47-9), with molecular formula C13H9N3O4S and molecular weight 303.03 g/mol. IUPAC: 4-(4-methylphenyl)sulfanyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium.
Chemical Property Profile of 7-[(4-Methylphenyl)sulfanyl]-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole
Property Insights of 7-[(4-Methylphenyl)sulfanyl]-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole
The XLogP value of 3.7 indicates that 7-[(4-Methylphenyl)sulfanyl]-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(4-Methylphenyl)sulfanyl]-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole. Following Lipinski's Rule of Five, 7-[(4-Methylphenyl)sulfanyl]-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole 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 7-[(4-Methylphenyl)sulfanyl]-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole?
The CAS number of 7-[(4-Methylphenyl)sulfanyl]-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole is 53619-47-9.
What is the molecular formula of 7-[(4-Methylphenyl)sulfanyl]-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole?
The molecular formula of 7-[(4-Methylphenyl)sulfanyl]-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole is C13H9N3O4S.
What is the molecular weight of 7-[(4-Methylphenyl)sulfanyl]-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole?
The molecular weight of 7-[(4-Methylphenyl)sulfanyl]-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole is 303.03 g/mol.
Where can I buy 7-[(4-Methylphenyl)sulfanyl]-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole?
You can request a quote for 7-[(4-Methylphenyl)sulfanyl]-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-Methylphenyl)sulfanyl]-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 7-[(4-Methylphenyl)sulfanyl]-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.