N2-Allyl-N4-(3-fluorophenyl)-L-asparagine
TL;DR: N2-Allyl-N4-(3-fluorophenyl)-L-asparagine (CAS 1048006-29-6) is a chemical compound with molecular formula C13H15FN2O3 and molecular weight 266.10666 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-4-(3-fluoroanilino)-4-oxo-2-(prop-2-enylamino)butanoic acid
Also Known As: N2-Allyl-N4-(3-fluorophenyl)-L-asparagine, (2S)-3-[(3-fluorophenyl)carbamoyl]-2-(prop-2-enylamino)propanoic Acid
Technical Specifications
| Molecular Formula | C13H15FN2O3 |
| Molecular Weight | 266.10666 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 85.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 266.10666 Da |
| Heavy Atoms | 19 |
| Complexity | 330.0 |
| SMILES | C=CCN[C@@H](CC(=O)NC1=CC(=CC=C1)F)C(=O)O |
| InChIKey | WWSIZINZLSEELU-NSHDSACASA-N |
Chemical Property Profile of N2-Allyl-N4-(3-fluorophenyl)-L-asparagine
Property Insights of N2-Allyl-N4-(3-fluorophenyl)-L-asparagine
The XLogP value of -0.1 indicates that N2-Allyl-N4-(3-fluorophenyl)-L-asparagine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N2-Allyl-N4-(3-fluorophenyl)-L-asparagine. Following Lipinski's Rule of Five, N2-Allyl-N4-(3-fluorophenyl)-L-asparagine 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 N2-Allyl-N4-(3-fluorophenyl)-L-asparagine?
The CAS number of N2-Allyl-N4-(3-fluorophenyl)-L-asparagine is 1048006-29-6.
What is the molecular formula of N2-Allyl-N4-(3-fluorophenyl)-L-asparagine?
The molecular formula of N2-Allyl-N4-(3-fluorophenyl)-L-asparagine is C13H15FN2O3.
What is the molecular weight of N2-Allyl-N4-(3-fluorophenyl)-L-asparagine?
The molecular weight of N2-Allyl-N4-(3-fluorophenyl)-L-asparagine is 266.10666 g/mol.
Where can I buy N2-Allyl-N4-(3-fluorophenyl)-L-asparagine?
You can request a quote for N2-Allyl-N4-(3-fluorophenyl)-L-asparagine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N2-Allyl-N4-(3-fluorophenyl)-L-asparagine?
Yes, CoreyChem provides custom synthesis services for N2-Allyl-N4-(3-fluorophenyl)-L-asparagine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.