2,1,3-Benzoxadiazole-5-carbonitrile
TL;DR: 2,1,3-Benzoxadiazole-5-carbonitrile (CAS 54286-62-3) is a chemical compound with molecular formula C7H3N3O and molecular weight 145.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,1,3-benzoxadiazole-5-carbonitrile
Also Known As: 2,1,3-benzoxadiazole-5-carbonitrile, Benzofurazan-5-carbonitrile, Benzo[c][1,2,5]oxadiazole-5-carbonitrile, 5-Cyano-2,1,3-benzoxadiazole, BUTTPARK 29\04-27
| Molecular Formula | C7H3N3O |
|---|---|
| Molecular Weight | 145.03 g/mol |
| LogP | 1.09448 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 145.02762 |
| Heavy Atoms | 11 |
| Complexity | 426.42346 |
Chemical Identifiers
| CAS Number | 54286-62-3 |
|---|---|
| SMILES | C1=CC2=NON=C2C=C1C#N |
Product Overview
2,1,3-Benzoxadiazole-5-carbonitrile (CAS 54286-62-3), with molecular formula C7H3N3O and molecular weight 145.03 g/mol. IUPAC: 2,1,3-benzoxadiazole-5-carbonitrile.
Chemical Property Profile of 2,1,3-Benzoxadiazole-5-carbonitrile
Property Insights of 2,1,3-Benzoxadiazole-5-carbonitrile
The XLogP value of 1.09448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,1,3-Benzoxadiazole-5-carbonitrile. The TPSA of 62.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,1,3-Benzoxadiazole-5-carbonitrile. Following Lipinski's Rule of Five, 2,1,3-Benzoxadiazole-5-carbonitrile has 0 hydrogen bond donor(s) and 4 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-5-carbonitrile?
The CAS number of 2,1,3-Benzoxadiazole-5-carbonitrile is 54286-62-3.
What is the molecular formula of 2,1,3-Benzoxadiazole-5-carbonitrile?
The molecular formula of 2,1,3-Benzoxadiazole-5-carbonitrile is C7H3N3O.
What is the molecular weight of 2,1,3-Benzoxadiazole-5-carbonitrile?
The molecular weight of 2,1,3-Benzoxadiazole-5-carbonitrile is 145.03 g/mol.
Where can I buy 2,1,3-Benzoxadiazole-5-carbonitrile?
You can request a quote for 2,1,3-Benzoxadiazole-5-carbonitrile 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-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,1,3-Benzoxadiazole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.