7-Nitro-4-(phenylthio)benzofurazan
TL;DR: 7-Nitro-4-(phenylthio)benzofurazan (CAS 16322-23-9) is a chemical compound with molecular formula C12H7N3O3S and molecular weight 273.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-nitro-4-phenylsulfanyl-2,1,3-benzoxadiazole
Also Known As: NBF-SPh, 4-Nitro-7-phenylthiobenzofurazan, Benzofurazan, 4-nitro-7-(phenylthio)-, 7-nitro-4-(phenylthio)benzofurazan, BENZOFURAZAN, 4-NITRO-7-PHENYLTHIO-
| Molecular Formula | C12H7N3O3S |
|---|---|
| Molecular Weight | 273.02 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.0208 |
| Heavy Atoms | 19 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 16322-23-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CC=C(C3=NON=C23)[N+](=O)[O-] |
| InChIKey | OSZUOJOLBOOODG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Nitro-4-(phenylthio)benzofurazan (CAS 16322-23-9), with molecular formula C12H7N3O3S and molecular weight 273.02 g/mol. IUPAC: 7-nitro-4-phenylsulfanyl-2,1,3-benzoxadiazole.
Chemical Property Profile of 7-Nitro-4-(phenylthio)benzofurazan
Property Insights of 7-Nitro-4-(phenylthio)benzofurazan
The XLogP value of 3.1 indicates that 7-Nitro-4-(phenylthio)benzofurazan 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 7-Nitro-4-(phenylthio)benzofurazan. Following Lipinski's Rule of Five, 7-Nitro-4-(phenylthio)benzofurazan 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-Nitro-4-(phenylthio)benzofurazan?
The CAS number of 7-Nitro-4-(phenylthio)benzofurazan is 16322-23-9.
What is the molecular formula of 7-Nitro-4-(phenylthio)benzofurazan?
The molecular formula of 7-Nitro-4-(phenylthio)benzofurazan is C12H7N3O3S.
What is the molecular weight of 7-Nitro-4-(phenylthio)benzofurazan?
The molecular weight of 7-Nitro-4-(phenylthio)benzofurazan is 273.02 g/mol.
Where can I buy 7-Nitro-4-(phenylthio)benzofurazan?
You can request a quote for 7-Nitro-4-(phenylthio)benzofurazan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Nitro-4-(phenylthio)benzofurazan?
Yes, KEHONG BIO provides custom synthesis services for 7-Nitro-4-(phenylthio)benzofurazan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.