N~2~-benzyl-N-(2-cyanophenyl)-alpha-asparagine
TL;DR: N~2~-benzyl-N-(2-cyanophenyl)-alpha-asparagine (CAS 1022917-21-0) is a chemical compound with molecular formula C18H17N3O3 and molecular weight 323.12698 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(benzylamino)-4-(2-cyanoanilino)-4-oxobutanoic acid
Also Known As: N~2~-benzyl-N-(2-cyanophenyl)-alpha-asparagine, 3-(benzylamino)-3-[(2-cyanophenyl)carbamoyl]propanoic Acid, 3-(Benzylamino)-4-((2-cyanophenyl)amino)-4-oxobutanoic acid, 3-(benzylamino)-4-(2-cyanoanilino)-4-oxobutanoic acid, 3-(benzylamino)-4-(2-cyanoanilino)-4-oxo-butanoic acid
Technical Specifications
| Molecular Formula | C18H17N3O3 |
| Molecular Weight | 323.12698 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 323.12698 Da |
| Heavy Atoms | 24 |
| Complexity | 479.0 |
| SMILES | C1=CC=C(C=C1)CNC(CC(=O)O)C(=O)NC2=CC=CC=C2C#N |
| InChIKey | WHBNARTTXRIRMW-UHFFFAOYSA-N |
Chemical Property Profile of N~2~-benzyl-N-(2-cyanophenyl)-alpha-asparagine
Property Insights of N~2~-benzyl-N-(2-cyanophenyl)-alpha-asparagine
The XLogP value of -0.3 indicates that N~2~-benzyl-N-(2-cyanophenyl)-alpha-asparagine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N~2~-benzyl-N-(2-cyanophenyl)-alpha-asparagine. Following Lipinski's Rule of Five, N~2~-benzyl-N-(2-cyanophenyl)-alpha-asparagine has 3 hydrogen bond donor(s) and 5 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-cyanophenyl)-alpha-asparagine?
The CAS number of N~2~-benzyl-N-(2-cyanophenyl)-alpha-asparagine is 1022917-21-0.
What is the molecular formula of N~2~-benzyl-N-(2-cyanophenyl)-alpha-asparagine?
The molecular formula of N~2~-benzyl-N-(2-cyanophenyl)-alpha-asparagine is C18H17N3O3.
What is the molecular weight of N~2~-benzyl-N-(2-cyanophenyl)-alpha-asparagine?
The molecular weight of N~2~-benzyl-N-(2-cyanophenyl)-alpha-asparagine is 323.12698 g/mol.
Where can I buy N~2~-benzyl-N-(2-cyanophenyl)-alpha-asparagine?
You can request a quote for N~2~-benzyl-N-(2-cyanophenyl)-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-cyanophenyl)-alpha-asparagine?
Yes, CoreyChem provides custom synthesis services for N~2~-benzyl-N-(2-cyanophenyl)-alpha-asparagine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.