![4-[(3-Methylbutanoyl)amino]benzoic acid structure](/static/products/1665/166597-81-5.webp)
4-[(3-Methylbutanoyl)amino]benzoic acid
TL;DR: 4-[(3-Methylbutanoyl)amino]benzoic acid (CAS 166597-81-5) 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.
4-(3-methylbutanoylamino)benzoic acid
Also Known As: IFLab1_003296, 4-[(3-methylbutanoyl)amino]benzoic acid, 4-((3-methylbutanoyl)amino)benzoic acid, 4-(3-methylbutanoylamino)benzoic acid
Technical Specifications
| Molecular Formula | C12H15NO3 |
| Molecular Weight | 221.1052 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.1052 Da |
| Heavy Atoms | 16 |
| Complexity | 255.0 |
| SMILES | CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)O |
| InChIKey | ZOQRJGXJOBCVTD-UHFFFAOYSA-N |
Chemical Property Profile of 4-[(3-Methylbutanoyl)amino]benzoic acid
Property Insights of 4-[(3-Methylbutanoyl)amino]benzoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3-Methylbutanoyl)amino]benzoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3-Methylbutanoyl)amino]benzoic acid. Following Lipinski's Rule of Five, 4-[(3-Methylbutanoyl)amino]benzoic 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 4-[(3-Methylbutanoyl)amino]benzoic acid?
The CAS number of 4-[(3-Methylbutanoyl)amino]benzoic acid is 166597-81-5.
What is the molecular formula of 4-[(3-Methylbutanoyl)amino]benzoic acid?
The molecular formula of 4-[(3-Methylbutanoyl)amino]benzoic acid is C12H15NO3.
What is the molecular weight of 4-[(3-Methylbutanoyl)amino]benzoic acid?
The molecular weight of 4-[(3-Methylbutanoyl)amino]benzoic acid is 221.1052 g/mol.
Where can I buy 4-[(3-Methylbutanoyl)amino]benzoic acid?
You can request a quote for 4-[(3-Methylbutanoyl)amino]benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[(3-Methylbutanoyl)amino]benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-[(3-Methylbutanoyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.