![[(1-Cyano-2-oxo-2-phenylethylidene)amino] benzoate structure](/static/products/845/845879-31-4.png)
[(1-Cyano-2-oxo-2-phenylethylidene)amino] benzoate
TL;DR: [(1-Cyano-2-oxo-2-phenylethylidene)amino] benzoate (CAS 845879-31-4) is a chemical compound with molecular formula C16H10N2O3 and molecular weight 278.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1-cyano-2-oxo-2-phenylethylidene)amino] benzoate
Also Known As: N-(2-Imino-3-oxo-3-phenylpropanenitrile)benzoate, [(1-cyano-2-oxo-2-phenylethylidene)amino] benzoate
| Molecular Formula | C16H10N2O3 |
|---|---|
| Molecular Weight | 278.07 g/mol |
| LogP | 2.60588 |
| Topological Polar Surface Area | 79.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.06915 |
| Heavy Atoms | 21 |
| Complexity | 716.19226 |
Chemical Identifiers
| CAS Number | 845879-31-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(=NOC(=O)C2=CC=CC=C2)C#N |
Product Overview
[(1-Cyano-2-oxo-2-phenylethylidene)amino] benzoate (CAS 845879-31-4), with molecular formula C16H10N2O3 and molecular weight 278.07 g/mol. IUPAC: [(1-cyano-2-oxo-2-phenylethylidene)amino] benzoate.
Chemical Property Profile of [(1-Cyano-2-oxo-2-phenylethylidene)amino] benzoate
Property Insights of [(1-Cyano-2-oxo-2-phenylethylidene)amino] benzoate
The XLogP value of 2.60588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-Cyano-2-oxo-2-phenylethylidene)amino] benzoate. The TPSA of 79.52 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-Cyano-2-oxo-2-phenylethylidene)amino] benzoate. Following Lipinski's Rule of Five, [(1-Cyano-2-oxo-2-phenylethylidene)amino] benzoate has 0 hydrogen bond donor(s) and 5 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 [(1-Cyano-2-oxo-2-phenylethylidene)amino] benzoate?
The CAS number of [(1-Cyano-2-oxo-2-phenylethylidene)amino] benzoate is 845879-31-4.
What is the molecular formula of [(1-Cyano-2-oxo-2-phenylethylidene)amino] benzoate?
The molecular formula of [(1-Cyano-2-oxo-2-phenylethylidene)amino] benzoate is C16H10N2O3.
What is the molecular weight of [(1-Cyano-2-oxo-2-phenylethylidene)amino] benzoate?
The molecular weight of [(1-Cyano-2-oxo-2-phenylethylidene)amino] benzoate is 278.07 g/mol.
Where can I buy [(1-Cyano-2-oxo-2-phenylethylidene)amino] benzoate?
You can request a quote for [(1-Cyano-2-oxo-2-phenylethylidene)amino] benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1-Cyano-2-oxo-2-phenylethylidene)amino] benzoate?
Yes, KEHONG BIO provides custom synthesis services for [(1-Cyano-2-oxo-2-phenylethylidene)amino] benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.