Isobutyranilide
TL;DR: Isobutyranilide (CAS 4406-41-1) is a chemical compound with molecular formula C10H13NO and molecular weight 163.09972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-N-phenylpropanamide
Also Known As: ISOBUTYRANILIDE, 2-Methyl-N-phenylpropanamide, i-Butyranilide, Isobutyric acid anilide, Isobutyranilid
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H13NO |
| Molecular Weight | 163.09972 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.09972 Da |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
| SMILES | CC(C)C(=O)NC1=CC=CC=C1 |
| InChIKey | WDRCPKDLZOQCFU-UHFFFAOYSA-N |
Chemical Property Profile of Isobutyranilide
Property Insights of Isobutyranilide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyranilide. With a topological polar surface area (TPSA) of 29.1 Ų, Isobutyranilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyranilide has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isobutyranilide?
The CAS number of Isobutyranilide is 4406-41-1.
What is the molecular formula of Isobutyranilide?
The molecular formula of Isobutyranilide is C10H13NO.
What is the molecular weight of Isobutyranilide?
The molecular weight of Isobutyranilide is 163.09972 g/mol.
Where can I buy Isobutyranilide?
You can request a quote for Isobutyranilide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isobutyranilide?
Yes, CoreyChem provides custom synthesis services for Isobutyranilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.