N2-Allyl-N4-(2-bromophenyl)-L-asparagine
TL;DR: N2-Allyl-N4-(2-bromophenyl)-L-asparagine (CAS 1048001-62-2) is a chemical compound with molecular formula C13H15BrN2O3 and molecular weight 326.0266 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-4-(2-bromoanilino)-4-oxo-2-(prop-2-enylamino)butanoic acid
Also Known As: N2-Allyl-N4-(2-bromophenyl)-L-asparagine, (2S)-3-[(2-bromophenyl)carbamoyl]-2-(prop-2-enylamino)propanoic Acid
Technical Specifications
| Molecular Formula | C13H15BrN2O3 |
| Molecular Weight | 326.0266 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 85.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.0266 Da |
| Heavy Atoms | 19 |
| Complexity | 330.0 |
| SMILES | C=CCN[C@@H](CC(=O)NC1=CC=CC=C1Br)C(=O)O |
| InChIKey | AGWGALYWLUXGMZ-NSHDSACASA-N |
Chemical Property Profile of N2-Allyl-N4-(2-bromophenyl)-L-asparagine
Property Insights of N2-Allyl-N4-(2-bromophenyl)-L-asparagine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N2-Allyl-N4-(2-bromophenyl)-L-asparagine. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N2-Allyl-N4-(2-bromophenyl)-L-asparagine. Following Lipinski's Rule of Five, N2-Allyl-N4-(2-bromophenyl)-L-asparagine 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 N2-Allyl-N4-(2-bromophenyl)-L-asparagine?
The CAS number of N2-Allyl-N4-(2-bromophenyl)-L-asparagine is 1048001-62-2.
What is the molecular formula of N2-Allyl-N4-(2-bromophenyl)-L-asparagine?
The molecular formula of N2-Allyl-N4-(2-bromophenyl)-L-asparagine is C13H15BrN2O3.
What is the molecular weight of N2-Allyl-N4-(2-bromophenyl)-L-asparagine?
The molecular weight of N2-Allyl-N4-(2-bromophenyl)-L-asparagine is 326.0266 g/mol.
Where can I buy N2-Allyl-N4-(2-bromophenyl)-L-asparagine?
You can request a quote for N2-Allyl-N4-(2-bromophenyl)-L-asparagine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N2-Allyl-N4-(2-bromophenyl)-L-asparagine?
Yes, CoreyChem provides custom synthesis services for N2-Allyl-N4-(2-bromophenyl)-L-asparagine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.