2-cyano-N'-(4-oxo-4-phenylbutan-2-ylidene)acetohydrazide
TL;DR: 2-cyano-N'-(4-oxo-4-phenylbutan-2-ylidene)acetohydrazide (CAS 1086229-94-8) is a chemical compound with molecular formula C13H13N3O2 and molecular weight 243.10077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-cyano-N-[(4-oxo-4-phenylbutan-2-ylidene)amino]acetamide
Also Known As: 2-cyano-N'-(4-oxo-4-phenylbutan-2-ylidene)acetohydrazide, 2-cyano-N'-[(E)-1-methyl-3-oxo-3-phenylpropylidene]acetohydrazide, 2-cyano-N-[(4-oxo-4-phenylbutan-2-ylidene)amino]acetamide
Technical Specifications
| Molecular Formula | C13H13N3O2 |
| Molecular Weight | 243.10077 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 82.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 243.10077 Da |
| Heavy Atoms | 18 |
| Complexity | 386.0 |
| SMILES | CC(=NNC(=O)CC#N)CC(=O)C1=CC=CC=C1 |
| InChIKey | MMNXYCSEWJLAGC-UHFFFAOYSA-N |
Chemical Property Profile of 2-cyano-N'-(4-oxo-4-phenylbutan-2-ylidene)acetohydrazide
Property Insights of 2-cyano-N'-(4-oxo-4-phenylbutan-2-ylidene)acetohydrazide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyano-N'-(4-oxo-4-phenylbutan-2-ylidene)acetohydrazide. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-N'-(4-oxo-4-phenylbutan-2-ylidene)acetohydrazide. Following Lipinski's Rule of Five, 2-cyano-N'-(4-oxo-4-phenylbutan-2-ylidene)acetohydrazide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-cyano-N'-(4-oxo-4-phenylbutan-2-ylidene)acetohydrazide?
The CAS number of 2-cyano-N'-(4-oxo-4-phenylbutan-2-ylidene)acetohydrazide is 1086229-94-8.
What is the molecular formula of 2-cyano-N'-(4-oxo-4-phenylbutan-2-ylidene)acetohydrazide?
The molecular formula of 2-cyano-N'-(4-oxo-4-phenylbutan-2-ylidene)acetohydrazide is C13H13N3O2.
What is the molecular weight of 2-cyano-N'-(4-oxo-4-phenylbutan-2-ylidene)acetohydrazide?
The molecular weight of 2-cyano-N'-(4-oxo-4-phenylbutan-2-ylidene)acetohydrazide is 243.10077 g/mol.
Where can I buy 2-cyano-N'-(4-oxo-4-phenylbutan-2-ylidene)acetohydrazide?
You can request a quote for 2-cyano-N'-(4-oxo-4-phenylbutan-2-ylidene)acetohydrazide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-cyano-N'-(4-oxo-4-phenylbutan-2-ylidene)acetohydrazide?
Yes, CoreyChem provides custom synthesis services for 2-cyano-N'-(4-oxo-4-phenylbutan-2-ylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.