N~2~-benzyl-N-(2-bromophenyl)-alpha-asparagine
TL;DR: N~2~-benzyl-N-(2-bromophenyl)-alpha-asparagine (CAS 1190412-56-6) is a chemical compound with molecular formula C17H17BrN2O3 and molecular weight 376.04224 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(benzylamino)-4-(2-bromoanilino)-4-oxobutanoic acid
Also Known As: N~2~-benzyl-N-(2-bromophenyl)-alpha-asparagine, 3-(benzylamino)-4-(2-bromoanilino)-4-oxobutanoic acid, 3-(benzylazaniumyl)-4-(2-bromoanilino)-4-oxobutanoate, 3-(benzylamino)-3-[(2-bromophenyl)carbamoyl]propanoic Acid, 3-(benzylamino)-4-((2-bromophenyl)amino)-4-oxobutanoic acid
Technical Specifications
| Molecular Formula | C17H17BrN2O3 |
| Molecular Weight | 376.04224 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.04224 Da |
| Heavy Atoms | 23 |
| Complexity | 399.0 |
| SMILES | C1=CC=C(C=C1)CNC(CC(=O)O)C(=O)NC2=CC=CC=C2Br |
| InChIKey | SBNKFWIVYNYIEC-UHFFFAOYSA-N |
Chemical Property Profile of N~2~-benzyl-N-(2-bromophenyl)-alpha-asparagine
Property Insights of N~2~-benzyl-N-(2-bromophenyl)-alpha-asparagine
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~2~-benzyl-N-(2-bromophenyl)-alpha-asparagine. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N~2~-benzyl-N-(2-bromophenyl)-alpha-asparagine. Following Lipinski's Rule of Five, N~2~-benzyl-N-(2-bromophenyl)-alpha-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 N~2~-benzyl-N-(2-bromophenyl)-alpha-asparagine?
The CAS number of N~2~-benzyl-N-(2-bromophenyl)-alpha-asparagine is 1190412-56-6.
What is the molecular formula of N~2~-benzyl-N-(2-bromophenyl)-alpha-asparagine?
The molecular formula of N~2~-benzyl-N-(2-bromophenyl)-alpha-asparagine is C17H17BrN2O3.
What is the molecular weight of N~2~-benzyl-N-(2-bromophenyl)-alpha-asparagine?
The molecular weight of N~2~-benzyl-N-(2-bromophenyl)-alpha-asparagine is 376.04224 g/mol.
Where can I buy N~2~-benzyl-N-(2-bromophenyl)-alpha-asparagine?
You can request a quote for N~2~-benzyl-N-(2-bromophenyl)-alpha-asparagine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N~2~-benzyl-N-(2-bromophenyl)-alpha-asparagine?
Yes, CoreyChem provides custom synthesis services for N~2~-benzyl-N-(2-bromophenyl)-alpha-asparagine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.