(3R)-3-azaniumyl-3-(3-bromophenyl)propanoate
TL;DR: (3R)-3-azaniumyl-3-(3-bromophenyl)propanoate (CAS 117391-50-1) is a chemical compound with molecular formula C9H10BrNO2 and molecular weight 242.98949 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R)-3-azaniumyl-3-(3-bromophenyl)propanoate
Also Known As: dl-beta-(3-bromophenyl)alanine, 3-amino-3-(3-bromophenyl)propanoic acid, (3R)-3-azaniumyl-3-(3-bromophenyl)propanoate, I01-7422
Technical Specifications
| Molecular Formula | C9H10BrNO2 |
| Molecular Weight | 242.98949 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.98949 Da |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
| SMILES | C1=CC(=CC(=C1)Br)[C@@H](CC(=O)[O-])[NH3+] |
| InChIKey | RLYAXKJHJUXZOT-MRVPVSSYSA-N |
Chemical Property Profile of (3R)-3-azaniumyl-3-(3-bromophenyl)propanoate
Property Insights of (3R)-3-azaniumyl-3-(3-bromophenyl)propanoate
The XLogP value of -1.3 indicates that (3R)-3-azaniumyl-3-(3-bromophenyl)propanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (3R)-3-azaniumyl-3-(3-bromophenyl)propanoate. Following Lipinski's Rule of Five, (3R)-3-azaniumyl-3-(3-bromophenyl)propanoate 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 (3R)-3-azaniumyl-3-(3-bromophenyl)propanoate?
The CAS number of (3R)-3-azaniumyl-3-(3-bromophenyl)propanoate is 117391-50-1.
What is the molecular formula of (3R)-3-azaniumyl-3-(3-bromophenyl)propanoate?
The molecular formula of (3R)-3-azaniumyl-3-(3-bromophenyl)propanoate is C9H10BrNO2.
What is the molecular weight of (3R)-3-azaniumyl-3-(3-bromophenyl)propanoate?
The molecular weight of (3R)-3-azaniumyl-3-(3-bromophenyl)propanoate is 242.98949 g/mol.
Where can I buy (3R)-3-azaniumyl-3-(3-bromophenyl)propanoate?
You can request a quote for (3R)-3-azaniumyl-3-(3-bromophenyl)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3R)-3-azaniumyl-3-(3-bromophenyl)propanoate?
Yes, CoreyChem provides custom synthesis services for (3R)-3-azaniumyl-3-(3-bromophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.