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Benzonitrile, 4-[(5-oxo-2-phenyl-4(5H)-oxazolylidene)methyl]-
TL;DR: Benzonitrile, 4-[(5-oxo-2-phenyl-4(5H)-oxazolylidene)methyl]- (CAS 51529-72-7) is a chemical compound with molecular formula C17H10N2O2 and molecular weight 274.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]benzonitrile
Also Known As: Benzonitrile, 4-[(5-oxo-2-phenyl-4(5H)-oxazolylidene)methyl]-, 4-[(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]benzonitrile, 4-[(5-Oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]benzonitrile
| Molecular Formula | C17H10N2O2 |
|---|---|
| Molecular Weight | 274.07 g/mol |
| LogP | 2.90278 |
| Topological Polar Surface Area | 62.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.07422 |
| Heavy Atoms | 21 |
| Complexity | 781.78986 |
Chemical Identifiers
| CAS Number | 51529-72-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)C#N)C(=O)O2 |
Product Overview
Benzonitrile, 4-[(5-oxo-2-phenyl-4(5H)-oxazolylidene)methyl]- (CAS 51529-72-7), with molecular formula C17H10N2O2 and molecular weight 274.07 g/mol. IUPAC: 4-[(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]benzonitrile.
Chemical Property Profile of Benzonitrile, 4-[(5-oxo-2-phenyl-4(5H)-oxazolylidene)methyl]-
Property Insights of Benzonitrile, 4-[(5-oxo-2-phenyl-4(5H)-oxazolylidene)methyl]-
The XLogP value of 2.90278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 4-[(5-oxo-2-phenyl-4(5H)-oxazolylidene)methyl]-. The TPSA of 62.45 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 4-[(5-oxo-2-phenyl-4(5H)-oxazolylidene)methyl]-. Following Lipinski's Rule of Five, Benzonitrile, 4-[(5-oxo-2-phenyl-4(5H)-oxazolylidene)methyl]- 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 Benzonitrile, 4-[(5-oxo-2-phenyl-4(5H)-oxazolylidene)methyl]-?
The CAS number of Benzonitrile, 4-[(5-oxo-2-phenyl-4(5H)-oxazolylidene)methyl]- is 51529-72-7.
What is the molecular formula of Benzonitrile, 4-[(5-oxo-2-phenyl-4(5H)-oxazolylidene)methyl]-?
The molecular formula of Benzonitrile, 4-[(5-oxo-2-phenyl-4(5H)-oxazolylidene)methyl]- is C17H10N2O2.
What is the molecular weight of Benzonitrile, 4-[(5-oxo-2-phenyl-4(5H)-oxazolylidene)methyl]-?
The molecular weight of Benzonitrile, 4-[(5-oxo-2-phenyl-4(5H)-oxazolylidene)methyl]- is 274.07 g/mol.
Where can I buy Benzonitrile, 4-[(5-oxo-2-phenyl-4(5H)-oxazolylidene)methyl]-?
You can request a quote for Benzonitrile, 4-[(5-oxo-2-phenyl-4(5H)-oxazolylidene)methyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-[(5-oxo-2-phenyl-4(5H)-oxazolylidene)methyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-[(5-oxo-2-phenyl-4(5H)-oxazolylidene)methyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.