Difluoro(3-oxo-N-phenylbutyramidato-O,O')boron
TL;DR: Difluoro(3-oxo-N-phenylbutyramidato-O,O')boron (CAS 15387-98-1) is a chemical compound with molecular formula C10H10BF2NO2 and molecular weight 225.07727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-difluoroboranyloxy-N-phenylbut-2-enamide
Also Known As: Difluoro(3-oxo-N-phenylbutyramidato-O,O')boron, 3-difluoroboranyloxy-crotonic acid anilide, 3-difluoroboranyloxy-N-phenylbut-2-enamide, 3-[(Difluoroboranyl)oxy]-N-phenylbut-2-enimidic acid, EINECS 239-411-7
Technical Specifications
| Molecular Formula | C10H10BF2NO2 |
| Molecular Weight | 225.07727 g/mol |
| XLogP | 2.47 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.07727 Da |
| Heavy Atoms | 16 |
| Complexity | 266.0 |
| SMILES | B(OC(=CC(=O)NC1=CC=CC=C1)C)(F)F |
| InChIKey | JRASYOPKEUTBOX-UHFFFAOYSA-N |
Chemical Property Profile of Difluoro(3-oxo-N-phenylbutyramidato-O,O')boron
Property Insights of Difluoro(3-oxo-N-phenylbutyramidato-O,O')boron
The XLogP value of 2.47 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Difluoro(3-oxo-N-phenylbutyramidato-O,O')boron. With a topological polar surface area (TPSA) of 38.3 Ų, Difluoro(3-oxo-N-phenylbutyramidato-O,O')boron exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Difluoro(3-oxo-N-phenylbutyramidato-O,O')boron 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 Difluoro(3-oxo-N-phenylbutyramidato-O,O')boron?
The CAS number of Difluoro(3-oxo-N-phenylbutyramidato-O,O')boron is 15387-98-1.
What is the molecular formula of Difluoro(3-oxo-N-phenylbutyramidato-O,O')boron?
The molecular formula of Difluoro(3-oxo-N-phenylbutyramidato-O,O')boron is C10H10BF2NO2.
What is the molecular weight of Difluoro(3-oxo-N-phenylbutyramidato-O,O')boron?
The molecular weight of Difluoro(3-oxo-N-phenylbutyramidato-O,O')boron is 225.07727 g/mol.
Where can I buy Difluoro(3-oxo-N-phenylbutyramidato-O,O')boron?
You can request a quote for Difluoro(3-oxo-N-phenylbutyramidato-O,O')boron directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Difluoro(3-oxo-N-phenylbutyramidato-O,O')boron?
Yes, CoreyChem provides custom synthesis services for Difluoro(3-oxo-N-phenylbutyramidato-O,O')boron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.