N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine
TL;DR: N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine (CAS 1047683-36-2) is a chemical compound with molecular formula C13H17BrN2O4 and molecular weight 344.03717 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-4-(4-bromoanilino)-2-(3-hydroxypropylamino)-4-oxobutanoic acid
Also Known As: N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine, (2R)-3-[(4-bromophenyl)carbamoyl]-2-(3-hydroxypropylamino)propanoic Acid, (2S)-4-(4-bromoanilino)-2-(3-hydroxypropylamino)-4-oxobutanoic acid
Technical Specifications
| Molecular Formula | C13H17BrN2O4 |
| Molecular Weight | 344.03717 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 344.03717 Da |
| Heavy Atoms | 20 |
| Complexity | 314.0 |
| SMILES | C1=CC(=CC=C1NC(=O)C[C@@H](C(=O)O)NCCCO)Br |
| InChIKey | JJUGRZRYHQKJLO-NSHDSACASA-N |
Chemical Property Profile of N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine
Property Insights of N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine
The XLogP value of -0.5 indicates that N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine. Following Lipinski's Rule of Five, N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine 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 N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine?
The CAS number of N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine is 1047683-36-2.
What is the molecular formula of N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine?
The molecular formula of N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine is C13H17BrN2O4.
What is the molecular weight of N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine?
The molecular weight of N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine is 344.03717 g/mol.
Where can I buy N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine?
You can request a quote for N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine?
Yes, CoreyChem provides custom synthesis services for N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.