![4-[(4-Methylphenyl)thio]-7-nitro-2,1,3-benzoxadiazole structure](/static/products/5361/53619-61-7.webp)
4-[(4-Methylphenyl)thio]-7-nitro-2,1,3-benzoxadiazole
TL;DR: 4-[(4-Methylphenyl)thio]-7-nitro-2,1,3-benzoxadiazole (CAS 53619-61-7) is a chemical compound with molecular formula C13H9N3O3S and molecular weight 287.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)sulfanyl-7-nitro-2,1,3-benzoxadiazole
Also Known As: Cyto5C11, Maybridge1_004770, 4-(4-methylphenyl)sulfanyl-7-nitro-2,1,3-benzoxadiazole, 4-[(4-methylphenyl)thio]-7-nitro-2,1,3-benzoxadiazole, J3.446.068J
| Molecular Formula | C13H9N3O3S |
|---|---|
| Molecular Weight | 287.04 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.03647 |
| Heavy Atoms | 20 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 53619-61-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=CC=C(C3=NON=C23)[N+](=O)[O-] |
| InChIKey | SQAVTBVSLRAJAT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-[(4-Methylphenyl)thio]-7-nitro-2,1,3-benzoxadiazole (CAS 53619-61-7), with molecular formula C13H9N3O3S and molecular weight 287.04 g/mol. IUPAC: 4-(4-methylphenyl)sulfanyl-7-nitro-2,1,3-benzoxadiazole.
Chemical Property Profile of 4-[(4-Methylphenyl)thio]-7-nitro-2,1,3-benzoxadiazole
Property Insights of 4-[(4-Methylphenyl)thio]-7-nitro-2,1,3-benzoxadiazole
The XLogP value of 3.4 indicates that 4-[(4-Methylphenyl)thio]-7-nitro-2,1,3-benzoxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-Methylphenyl)thio]-7-nitro-2,1,3-benzoxadiazole. Following Lipinski's Rule of Five, 4-[(4-Methylphenyl)thio]-7-nitro-2,1,3-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 4-[(4-Methylphenyl)thio]-7-nitro-2,1,3-benzoxadiazole?
The CAS number of 4-[(4-Methylphenyl)thio]-7-nitro-2,1,3-benzoxadiazole is 53619-61-7.
What is the molecular formula of 4-[(4-Methylphenyl)thio]-7-nitro-2,1,3-benzoxadiazole?
The molecular formula of 4-[(4-Methylphenyl)thio]-7-nitro-2,1,3-benzoxadiazole is C13H9N3O3S.
What is the molecular weight of 4-[(4-Methylphenyl)thio]-7-nitro-2,1,3-benzoxadiazole?
The molecular weight of 4-[(4-Methylphenyl)thio]-7-nitro-2,1,3-benzoxadiazole is 287.04 g/mol.
Where can I buy 4-[(4-Methylphenyl)thio]-7-nitro-2,1,3-benzoxadiazole?
You can request a quote for 4-[(4-Methylphenyl)thio]-7-nitro-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-[(4-Methylphenyl)thio]-7-nitro-2,1,3-benzoxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Methylphenyl)thio]-7-nitro-2,1,3-benzoxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.