4-((2-Methyl-5-oxo-4(5H)-oxazolylidene)methyl)benzonitrile
TL;DR: 4-((2-Methyl-5-oxo-4(5H)-oxazolylidene)methyl)benzonitrile (CAS 43229-82-9) is a chemical compound with molecular formula C12H8N2O2 and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-methyl-5-oxo-1,3-oxazol-4-ylidene)methyl]benzonitrile
Also Known As: 4-(2-Methyl-5-oxooxazol-4-ylidenemethyl)benzonitrile, 4-(4'-cyanobenzylidene)-2-methyl-5(4h)-oxazolone, 4-[(2-Methyl-5-oxo-4(5H)-oxazolylidene)methyl]benzonitrile, 4-[(2-methyl-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]benzonitrile, 4-((2-Methyl-5-oxo-4(5H)-oxazolylidene)methyl)benzonitrile
| Molecular Formula | C12H8N2O2 |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 62.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.05858 |
| Heavy Atoms | 16 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 43229-82-9 |
|---|---|
| SMILES | CC1=NC(=CC2=CC=C(C=C2)C#N)C(=O)O1 |
| InChIKey | NHXUQWNMPAHIRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-((2-Methyl-5-oxo-4(5H)-oxazolylidene)methyl)benzonitrile (CAS 43229-82-9), with molecular formula C12H8N2O2 and molecular weight 212.06 g/mol. IUPAC: 4-[(2-methyl-5-oxo-1,3-oxazol-4-ylidene)methyl]benzonitrile.
Chemical Property Profile of 4-((2-Methyl-5-oxo-4(5H)-oxazolylidene)methyl)benzonitrile
Property Insights of 4-((2-Methyl-5-oxo-4(5H)-oxazolylidene)methyl)benzonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((2-Methyl-5-oxo-4(5H)-oxazolylidene)methyl)benzonitrile. The TPSA of 62.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2-Methyl-5-oxo-4(5H)-oxazolylidene)methyl)benzonitrile. Following Lipinski's Rule of Five, 4-((2-Methyl-5-oxo-4(5H)-oxazolylidene)methyl)benzonitrile 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 4-((2-Methyl-5-oxo-4(5H)-oxazolylidene)methyl)benzonitrile?
The CAS number of 4-((2-Methyl-5-oxo-4(5H)-oxazolylidene)methyl)benzonitrile is 43229-82-9.
What is the molecular formula of 4-((2-Methyl-5-oxo-4(5H)-oxazolylidene)methyl)benzonitrile?
The molecular formula of 4-((2-Methyl-5-oxo-4(5H)-oxazolylidene)methyl)benzonitrile is C12H8N2O2.
What is the molecular weight of 4-((2-Methyl-5-oxo-4(5H)-oxazolylidene)methyl)benzonitrile?
The molecular weight of 4-((2-Methyl-5-oxo-4(5H)-oxazolylidene)methyl)benzonitrile is 212.06 g/mol.
Where can I buy 4-((2-Methyl-5-oxo-4(5H)-oxazolylidene)methyl)benzonitrile?
You can request a quote for 4-((2-Methyl-5-oxo-4(5H)-oxazolylidene)methyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((2-Methyl-5-oxo-4(5H)-oxazolylidene)methyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-Methyl-5-oxo-4(5H)-oxazolylidene)methyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.