2,1,3-Benzoxadiazole, 4-chloro-5,7-dinitro-
TL;DR: 2,1,3-Benzoxadiazole, 4-chloro-5,7-dinitro- (CAS 68579-76-0) is a chemical compound with molecular formula C6HClN4O5 and molecular weight 243.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-5,7-dinitro-2,1,3-benzoxadiazole
Also Known As: 2,1,3-Benzoxadiazole, 4-chloro-5,7-dinitro-, 4-chloro-5,7-dinitrobenzofurazan, 4,6-Dinitro-7-chlorobenzofurazane, 4-chloro-5,7-dinitro-2,1,3-benzoxadiazole, 4-Chloro-5,7-dinitrobenzofurazane
| Molecular Formula | C6HClN4O5 |
|---|---|
| Molecular Weight | 243.96 g/mol |
| LogP | 1.6926 |
| Topological Polar Surface Area | 125.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.96355 |
| Heavy Atoms | 16 |
| Complexity | 608.22986 |
Chemical Identifiers
| CAS Number | 68579-76-0 |
|---|---|
| SMILES | C1=C(C2=NON=C2C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-] |
Product Overview
2,1,3-Benzoxadiazole, 4-chloro-5,7-dinitro- (CAS 68579-76-0), with molecular formula C6HClN4O5 and molecular weight 243.96 g/mol. IUPAC: 4-chloro-5,7-dinitro-2,1,3-benzoxadiazole.
Chemical Property Profile of 2,1,3-Benzoxadiazole, 4-chloro-5,7-dinitro-
Property Insights of 2,1,3-Benzoxadiazole, 4-chloro-5,7-dinitro-
The XLogP value of 1.6926 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,1,3-Benzoxadiazole, 4-chloro-5,7-dinitro-. The TPSA of 125.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,1,3-Benzoxadiazole, 4-chloro-5,7-dinitro-. Following Lipinski's Rule of Five, 2,1,3-Benzoxadiazole, 4-chloro-5,7-dinitro- 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 2,1,3-Benzoxadiazole, 4-chloro-5,7-dinitro-?
The CAS number of 2,1,3-Benzoxadiazole, 4-chloro-5,7-dinitro- is 68579-76-0.
What is the molecular formula of 2,1,3-Benzoxadiazole, 4-chloro-5,7-dinitro-?
The molecular formula of 2,1,3-Benzoxadiazole, 4-chloro-5,7-dinitro- is C6HClN4O5.
What is the molecular weight of 2,1,3-Benzoxadiazole, 4-chloro-5,7-dinitro-?
The molecular weight of 2,1,3-Benzoxadiazole, 4-chloro-5,7-dinitro- is 243.96 g/mol.
Where can I buy 2,1,3-Benzoxadiazole, 4-chloro-5,7-dinitro-?
You can request a quote for 2,1,3-Benzoxadiazole, 4-chloro-5,7-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,1,3-Benzoxadiazole, 4-chloro-5,7-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for 2,1,3-Benzoxadiazole, 4-chloro-5,7-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.