2-Amino-4-(1,3-benzodioxol-5-yl)butanoic acid
TL;DR: 2-Amino-4-(1,3-benzodioxol-5-yl)butanoic acid (CAS 1260617-61-5) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4-(1,3-benzodioxol-5-yl)butanoic acid
Also Known As: 2-amino-4-(1,3-benzodioxol-5-yl)butanoic acid, 2-AMINO-4-(BENZO[D][1,3]DIOXOL-5-YL)BUTANOIC ACID, 2-AMINO-4-BENZO[1,3]DIOXOL-5-YL-BUTYRIC ACID, 2-AMINO-4-(2H-1,3-BENZODIOXOL-5-YL)BUTANOIC ACID, (R)-2-AMINO-4-BENZO[1,3]DIOXOL-5-YL-BUTYRIC ACID
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H13NO4 |
| Molecular Weight | 223.08446 g/mol |
| XLogP | -1.1 |
| Topological Polar Surface Area (TPSA) | 81.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.08446 Da |
| Heavy Atoms | 16 |
| Complexity | 258.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)CCC(C(=O)O)N |
| InChIKey | CDRVGURNPPJPNN-UHFFFAOYSA-N |
Chemical Property Profile of 2-Amino-4-(1,3-benzodioxol-5-yl)butanoic acid
Property Insights of 2-Amino-4-(1,3-benzodioxol-5-yl)butanoic acid
The XLogP value of -1.1 indicates that 2-Amino-4-(1,3-benzodioxol-5-yl)butanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4-(1,3-benzodioxol-5-yl)butanoic acid. Following Lipinski's Rule of Five, 2-Amino-4-(1,3-benzodioxol-5-yl)butanoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Amino-4-(1,3-benzodioxol-5-yl)butanoic acid?
The CAS number of 2-Amino-4-(1,3-benzodioxol-5-yl)butanoic acid is 1260617-61-5.
What is the molecular formula of 2-Amino-4-(1,3-benzodioxol-5-yl)butanoic acid?
The molecular formula of 2-Amino-4-(1,3-benzodioxol-5-yl)butanoic acid is C11H13NO4.
What is the molecular weight of 2-Amino-4-(1,3-benzodioxol-5-yl)butanoic acid?
The molecular weight of 2-Amino-4-(1,3-benzodioxol-5-yl)butanoic acid is 223.08446 g/mol.
Where can I buy 2-Amino-4-(1,3-benzodioxol-5-yl)butanoic acid?
You can request a quote for 2-Amino-4-(1,3-benzodioxol-5-yl)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Amino-4-(1,3-benzodioxol-5-yl)butanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-Amino-4-(1,3-benzodioxol-5-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.