5-Chloro-4-nitro-2,1,3-benzoxadiazole
TL;DR: 5-Chloro-4-nitro-2,1,3-benzoxadiazole (CAS 5714-17-0) is a chemical compound with molecular formula C6H2ClN3O3 and molecular weight 198.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-4-nitro-2,1,3-benzoxadiazole
Also Known As: 5-Chloro-4-nitro-2,1,3-benzoxadiazole, chloronitrobenzofurazan, 5-Chloro-4-nitrobenzo[c][1,2,5]oxadiazole, 5-Chloro-4-nitrobenzofurazane, 4-Nitro-5-chlor-benzofurazan
| Molecular Formula | C6H2ClN3O3 |
|---|---|
| Molecular Weight | 198.98 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.97847 |
| Heavy Atoms | 13 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 5714-17-0 |
|---|---|
| SMILES | C1=CC2=NON=C2C(=C1Cl)[N+](=O)[O-] |
| InChIKey | JJXNKZYCHQVCND-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-4-nitro-2,1,3-benzoxadiazole (CAS 5714-17-0), with molecular formula C6H2ClN3O3 and molecular weight 198.98 g/mol. IUPAC: 5-chloro-4-nitro-2,1,3-benzoxadiazole.
Chemical Property Profile of 5-Chloro-4-nitro-2,1,3-benzoxadiazole
Property Insights of 5-Chloro-4-nitro-2,1,3-benzoxadiazole
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-4-nitro-2,1,3-benzoxadiazole. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-4-nitro-2,1,3-benzoxadiazole. Following Lipinski's Rule of Five, 5-Chloro-4-nitro-2,1,3-benzoxadiazole has 0 hydrogen bond donor(s) and 5 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 5-Chloro-4-nitro-2,1,3-benzoxadiazole?
The CAS number of 5-Chloro-4-nitro-2,1,3-benzoxadiazole is 5714-17-0.
What is the molecular formula of 5-Chloro-4-nitro-2,1,3-benzoxadiazole?
The molecular formula of 5-Chloro-4-nitro-2,1,3-benzoxadiazole is C6H2ClN3O3.
What is the molecular weight of 5-Chloro-4-nitro-2,1,3-benzoxadiazole?
The molecular weight of 5-Chloro-4-nitro-2,1,3-benzoxadiazole is 198.98 g/mol.
Where can I buy 5-Chloro-4-nitro-2,1,3-benzoxadiazole?
You can request a quote for 5-Chloro-4-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 5-Chloro-4-nitro-2,1,3-benzoxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-4-nitro-2,1,3-benzoxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.