Bromoacetyl-4-aminohippuric acid
TL;DR: Bromoacetyl-4-aminohippuric acid (CAS 158039-67-9) is a chemical compound with molecular formula C11H11BrN2O4 and molecular weight 313.99023 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-[(2-bromoacetyl)amino]benzoyl]amino]acetic acid
Also Known As: Bracpah, Bromoacetyl-4-aminohippuric acid, (4-(2-bromoacetamido)benzoyl)glycine, N-[4-(2-Bromoacetamido)benzoyl]glycine, 2-[[4-[(2-bromoacetyl)amino]benzoyl]amino]acetic acid
Technical Specifications
| Molecular Formula | C11H11BrN2O4 |
| Molecular Weight | 313.99023 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.99023 Da |
| Heavy Atoms | 18 |
| Complexity | 327.0 |
| SMILES | C1=CC(=CC=C1C(=O)NCC(=O)O)NC(=O)CBr |
| InChIKey | UUZWTKPHANMVFF-UHFFFAOYSA-N |
Chemical Property Profile of Bromoacetyl-4-aminohippuric acid
Property Insights of Bromoacetyl-4-aminohippuric acid
The XLogP value of -0.2 indicates that Bromoacetyl-4-aminohippuric acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Bromoacetyl-4-aminohippuric acid. Following Lipinski's Rule of Five, Bromoacetyl-4-aminohippuric acid has 3 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 Bromoacetyl-4-aminohippuric acid?
The CAS number of Bromoacetyl-4-aminohippuric acid is 158039-67-9.
What is the molecular formula of Bromoacetyl-4-aminohippuric acid?
The molecular formula of Bromoacetyl-4-aminohippuric acid is C11H11BrN2O4.
What is the molecular weight of Bromoacetyl-4-aminohippuric acid?
The molecular weight of Bromoacetyl-4-aminohippuric acid is 313.99023 g/mol.
Where can I buy Bromoacetyl-4-aminohippuric acid?
You can request a quote for Bromoacetyl-4-aminohippuric acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bromoacetyl-4-aminohippuric acid?
Yes, CoreyChem provides custom synthesis services for Bromoacetyl-4-aminohippuric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.