![4-[(Z)-[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzonitrile structure](/static/products/3522/352205-73-3.webp)
4-[(Z)-[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzonitrile
TL;DR: 4-[(Z)-[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzonitrile (CAS 352205-73-3) is a chemical compound with molecular formula C21H18N2O2 and molecular weight 330.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(Z)-[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzonitrile
Also Known As: BIM-0028870.P001, 4-[(Z)-[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzonitrile, 4-[(2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]benzonitrile
| Molecular Formula | C21H18N2O2 |
|---|---|
| Molecular Weight | 330.14 g/mol |
| LogP | 4.20028 |
| Topological Polar Surface Area | 62.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.13684 |
| Heavy Atoms | 25 |
| Complexity | 906.35376 |
Chemical Identifiers
| CAS Number | 352205-73-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=N/C(=C\C3=CC=C(C=C3)C#N)/C(=O)O2 |
Product Overview
4-[(Z)-[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzonitrile (CAS 352205-73-3), with molecular formula C21H18N2O2 and molecular weight 330.14 g/mol. IUPAC: 4-[(Z)-[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzonitrile.
Chemical Property Profile of 4-[(Z)-[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzonitrile
Property Insights of 4-[(Z)-[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzonitrile
The XLogP value of 4.20028 indicates that 4-[(Z)-[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(Z)-[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzonitrile. Following Lipinski's Rule of Five, 4-[(Z)-[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]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-[(Z)-[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzonitrile?
The CAS number of 4-[(Z)-[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzonitrile is 352205-73-3.
What is the molecular formula of 4-[(Z)-[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzonitrile?
The molecular formula of 4-[(Z)-[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzonitrile is C21H18N2O2.
What is the molecular weight of 4-[(Z)-[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzonitrile?
The molecular weight of 4-[(Z)-[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzonitrile is 330.14 g/mol.
Where can I buy 4-[(Z)-[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzonitrile?
You can request a quote for 4-[(Z)-[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]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-[(Z)-[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(Z)-[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.