N4-(2-Bromophenyl)-N2-butyl-L-asparagine
TL;DR: N4-(2-Bromophenyl)-N2-butyl-L-asparagine (CAS 1047679-71-9) is a chemical compound with molecular formula C14H19BrN2O3 and molecular weight 342.05792 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-4-(2-bromoanilino)-2-(butylamino)-4-oxobutanoic acid
Also Known As: N4-(2-Bromophenyl)-N2-butyl-L-asparagine, (2R)-3-[(2-bromophenyl)carbamoyl]-2-butylamino-propanoic Acid, (2S)-4-(2-bromoanilino)-2-(butylamino)-4-oxobutanoic acid
Technical Specifications
| Molecular Formula | C14H19BrN2O3 |
| Molecular Weight | 342.05792 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 85.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 342.05792 Da |
| Heavy Atoms | 20 |
| Complexity | 320.0 |
| SMILES | CCCCN[C@@H](CC(=O)NC1=CC=CC=C1Br)C(=O)O |
| InChIKey | KDQILUQWKKZFLO-LBPRGKRZSA-N |
Chemical Property Profile of N4-(2-Bromophenyl)-N2-butyl-L-asparagine
Property Insights of N4-(2-Bromophenyl)-N2-butyl-L-asparagine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N4-(2-Bromophenyl)-N2-butyl-L-asparagine. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N4-(2-Bromophenyl)-N2-butyl-L-asparagine. Following Lipinski's Rule of Five, N4-(2-Bromophenyl)-N2-butyl-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 N4-(2-Bromophenyl)-N2-butyl-L-asparagine?
The CAS number of N4-(2-Bromophenyl)-N2-butyl-L-asparagine is 1047679-71-9.
What is the molecular formula of N4-(2-Bromophenyl)-N2-butyl-L-asparagine?
The molecular formula of N4-(2-Bromophenyl)-N2-butyl-L-asparagine is C14H19BrN2O3.
What is the molecular weight of N4-(2-Bromophenyl)-N2-butyl-L-asparagine?
The molecular weight of N4-(2-Bromophenyl)-N2-butyl-L-asparagine is 342.05792 g/mol.
Where can I buy N4-(2-Bromophenyl)-N2-butyl-L-asparagine?
You can request a quote for N4-(2-Bromophenyl)-N2-butyl-L-asparagine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N4-(2-Bromophenyl)-N2-butyl-L-asparagine?
Yes, CoreyChem provides custom synthesis services for N4-(2-Bromophenyl)-N2-butyl-L-asparagine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.