N'-(2-phenylacetyl)but-2-enediamide
TL;DR: N'-(2-phenylacetyl)but-2-enediamide (CAS 57687-92-0) is a chemical compound with molecular formula C12H12N2O3 and molecular weight 232.0848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-(2-phenylacetyl)but-2-enediamide
Also Known As: Fumaramidmycin, N'-(2-phenylacetyl)but-2-enediamide, (E)-N-(Phenylacetyl)-2-butenediamide
Technical Specifications
| Molecular Formula | C12H12N2O3 |
| Molecular Weight | 232.0848 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 89.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.0848 Da |
| Heavy Atoms | 17 |
| Complexity | 331.0 |
| SMILES | C1=CC=C(C=C1)CC(=O)NC(=O)C=CC(=O)N |
| InChIKey | RPPKWABVORYKHA-UHFFFAOYSA-N |
Chemical Property Profile of N'-(2-phenylacetyl)but-2-enediamide
Property Insights of N'-(2-phenylacetyl)but-2-enediamide
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-(2-phenylacetyl)but-2-enediamide. The TPSA of 89.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-(2-phenylacetyl)but-2-enediamide. Following Lipinski's Rule of Five, N'-(2-phenylacetyl)but-2-enediamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N'-(2-phenylacetyl)but-2-enediamide?
The CAS number of N'-(2-phenylacetyl)but-2-enediamide is 57687-92-0.
What is the molecular formula of N'-(2-phenylacetyl)but-2-enediamide?
The molecular formula of N'-(2-phenylacetyl)but-2-enediamide is C12H12N2O3.
What is the molecular weight of N'-(2-phenylacetyl)but-2-enediamide?
The molecular weight of N'-(2-phenylacetyl)but-2-enediamide is 232.0848 g/mol.
Where can I buy N'-(2-phenylacetyl)but-2-enediamide?
You can request a quote for N'-(2-phenylacetyl)but-2-enediamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N'-(2-phenylacetyl)but-2-enediamide?
Yes, CoreyChem provides custom synthesis services for N'-(2-phenylacetyl)but-2-enediamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.