4-Amino-3-benzo(b)furan-2-ylbutanoic acid
TL;DR: 4-Amino-3-benzo(b)furan-2-ylbutanoic acid (CAS 121838-28-6) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-3-(1-benzofuran-2-yl)butanoic acid
Also Known As: Bfg-butanoic acid, 4-amino-3-(1-benzofuran-2-yl)butanoic acid, 4-Amino-3-benzo(b)furan-2-ylbutanoic acid, BETA-BENZOFURAN-2-YL-GABA, 4-Amino-3-benzofuran-2-yl-butyric acid
Technical Specifications
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.08954 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 76.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.08954 Da |
| Heavy Atoms | 16 |
| Complexity | 257.0 |
| SMILES | C1=CC=C2C(=C1)C=C(O2)C(CC(=O)O)CN |
| InChIKey | SRLRWPSSQWUHQC-UHFFFAOYSA-N |
Chemical Property Profile of 4-Amino-3-benzo(b)furan-2-ylbutanoic acid
Property Insights of 4-Amino-3-benzo(b)furan-2-ylbutanoic acid
The XLogP value of -1.3 indicates that 4-Amino-3-benzo(b)furan-2-ylbutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-3-benzo(b)furan-2-ylbutanoic acid. Following Lipinski's Rule of Five, 4-Amino-3-benzo(b)furan-2-ylbutanoic acid has 2 hydrogen bond donor(s) and 4 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-Amino-3-benzo(b)furan-2-ylbutanoic acid?
The CAS number of 4-Amino-3-benzo(b)furan-2-ylbutanoic acid is 121838-28-6.
What is the molecular formula of 4-Amino-3-benzo(b)furan-2-ylbutanoic acid?
The molecular formula of 4-Amino-3-benzo(b)furan-2-ylbutanoic acid is C12H13NO3.
What is the molecular weight of 4-Amino-3-benzo(b)furan-2-ylbutanoic acid?
The molecular weight of 4-Amino-3-benzo(b)furan-2-ylbutanoic acid is 219.08954 g/mol.
Where can I buy 4-Amino-3-benzo(b)furan-2-ylbutanoic acid?
You can request a quote for 4-Amino-3-benzo(b)furan-2-ylbutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Amino-3-benzo(b)furan-2-ylbutanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Amino-3-benzo(b)furan-2-ylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.