Senecioic acid amide
TL;DR: Senecioic acid amide (CAS 4479-75-8) is a chemical compound with molecular formula C5H9NO and molecular weight 99.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbut-2-enamide
Also Known As: 3-methylbut-2-enamide, Senecioic acid amide, 3-Methylcrotonamide, 3,3-Dimethylacrylamide, Dimethylacrylamide
| Molecular Formula | C5H9NO |
|---|---|
| Molecular Weight | 99.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 99.06841 |
| Heavy Atoms | 7 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 4479-75-8 |
|---|---|
| SMILES | CC(=CC(=O)N)C |
| InChIKey | WHNPOQXWAMXPTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Senecioic acid amide (CAS 4479-75-8), with molecular formula C5H9NO and molecular weight 99.07 g/mol. IUPAC: 3-methylbut-2-enamide.
Chemical Property Profile of Senecioic acid amide
Property Insights of Senecioic acid amide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Senecioic acid amide. With a topological polar surface area (TPSA) of 43.1 Ų, Senecioic acid amide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Senecioic acid amide 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
Frequently Asked Questions
What is the CAS number of Senecioic acid amide?
The CAS number of Senecioic acid amide is 4479-75-8.
What is the molecular formula of Senecioic acid amide?
The molecular formula of Senecioic acid amide is C5H9NO.
What is the molecular weight of Senecioic acid amide?
The molecular weight of Senecioic acid amide is 99.07 g/mol.
Where can I buy Senecioic acid amide?
You can request a quote for Senecioic acid amide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Senecioic acid amide?
Yes, KEHONG BIO provides custom synthesis services for Senecioic acid amide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.