4-Aminobutylalanine
TL;DR: 4-Aminobutylalanine (CAS 113694-76-1) is a chemical compound with molecular formula C7H15BrN2O3 and molecular weight 254.0266 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-(4-aminobutanoylamino)propanoic acid;hydrobromide
Also Known As: 4-Aminobutylalanine, ABAHB, 4-Aminobutyryl-DL-alanine hydrobromide, 2-Cyclohexen-1-one,5-methyl-2-(1-methylethenyl), (2S)-2-(4-aminobutanoylamino)propanoic acid;hydrobromide
Technical Specifications
| Molecular Formula | C7H15BrN2O3 |
| Molecular Weight | 254.0266 g/mol |
| XLogP | -0.1075 |
| Topological Polar Surface Area (TPSA) | 92.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.0266 Da |
| Heavy Atoms | 13 |
| Complexity | 170.0 |
| SMILES | C[C@@H](C(=O)O)NC(=O)CCCN.Br |
| InChIKey | SIZUITTXQRAABF-JEDNCBNOSA-N |
Chemical Property Profile of 4-Aminobutylalanine
Property Insights of 4-Aminobutylalanine
The XLogP value of -0.1075 indicates that 4-Aminobutylalanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Aminobutylalanine. Following Lipinski's Rule of Five, 4-Aminobutylalanine has 4 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-Aminobutylalanine?
The CAS number of 4-Aminobutylalanine is 113694-76-1.
What is the molecular formula of 4-Aminobutylalanine?
The molecular formula of 4-Aminobutylalanine is C7H15BrN2O3.
What is the molecular weight of 4-Aminobutylalanine?
The molecular weight of 4-Aminobutylalanine is 254.0266 g/mol.
Where can I buy 4-Aminobutylalanine?
You can request a quote for 4-Aminobutylalanine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Aminobutylalanine?
Yes, CoreyChem provides custom synthesis services for 4-Aminobutylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.