Benzonitrile, 4-azidocarbonyl-
TL;DR: Benzonitrile, 4-azidocarbonyl- (CAS 60236-80-8) is a chemical compound with molecular formula C8H4N4O and molecular weight 172.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyanobenzoyl azide
Also Known As: 4-cyanobenzoyl azide, p-Cyanobenzoylazid, Benzoyl azide, 4-cyano-, Benzonitrile, 4-azidocarbonyl-
| Molecular Formula | C8H4N4O |
|---|---|
| Molecular Weight | 172.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.03851 |
| Heavy Atoms | 13 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 60236-80-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)C(=O)N=[N+]=[N-] |
| InChIKey | JDHSOIXEHJAULV-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 4-azidocarbonyl- (CAS 60236-80-8), with molecular formula C8H4N4O and molecular weight 172.04 g/mol. IUPAC: 4-cyanobenzoyl azide.
Chemical Property Profile of Benzonitrile, 4-azidocarbonyl-
Property Insights of Benzonitrile, 4-azidocarbonyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 4-azidocarbonyl-. With a topological polar surface area (TPSA) of 55.2 Ų, Benzonitrile, 4-azidocarbonyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-azidocarbonyl- has 0 hydrogen bond donor(s) and 3 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 Benzonitrile, 4-azidocarbonyl-?
The CAS number of Benzonitrile, 4-azidocarbonyl- is 60236-80-8.
What is the molecular formula of Benzonitrile, 4-azidocarbonyl-?
The molecular formula of Benzonitrile, 4-azidocarbonyl- is C8H4N4O.
What is the molecular weight of Benzonitrile, 4-azidocarbonyl-?
The molecular weight of Benzonitrile, 4-azidocarbonyl- is 172.04 g/mol.
Where can I buy Benzonitrile, 4-azidocarbonyl-?
You can request a quote for Benzonitrile, 4-azidocarbonyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-azidocarbonyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-azidocarbonyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.