5-Anilino-3-methyl-5-oxopentanoic acid
TL;DR: 5-Anilino-3-methyl-5-oxopentanoic acid (CAS 100823-19-6) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-anilino-3-methyl-5-oxopentanoic acid
Also Known As: 5-anilino-3-methyl-5-oxopentanoic acid, 3-methyl-5-oxo-5-(phenylamino)pentanoic acid, 3-methyl-4-(phenylcarbamoyl)butanoic Acid, AS-662/41585033
Technical Specifications
| Molecular Formula | C12H15NO3 |
| Molecular Weight | 221.1052 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.1052 Da |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
| SMILES | CC(CC(=O)NC1=CC=CC=C1)CC(=O)O |
| InChIKey | YMHUFHFMJABSQX-UHFFFAOYSA-N |
Chemical Property Profile of 5-Anilino-3-methyl-5-oxopentanoic acid
Property Insights of 5-Anilino-3-methyl-5-oxopentanoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Anilino-3-methyl-5-oxopentanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Anilino-3-methyl-5-oxopentanoic acid. Following Lipinski's Rule of Five, 5-Anilino-3-methyl-5-oxopentanoic acid 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 5-Anilino-3-methyl-5-oxopentanoic acid?
The CAS number of 5-Anilino-3-methyl-5-oxopentanoic acid is 100823-19-6.
What is the molecular formula of 5-Anilino-3-methyl-5-oxopentanoic acid?
The molecular formula of 5-Anilino-3-methyl-5-oxopentanoic acid is C12H15NO3.
What is the molecular weight of 5-Anilino-3-methyl-5-oxopentanoic acid?
The molecular weight of 5-Anilino-3-methyl-5-oxopentanoic acid is 221.1052 g/mol.
Where can I buy 5-Anilino-3-methyl-5-oxopentanoic acid?
You can request a quote for 5-Anilino-3-methyl-5-oxopentanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Anilino-3-methyl-5-oxopentanoic acid?
Yes, CoreyChem provides custom synthesis services for 5-Anilino-3-methyl-5-oxopentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.