![N~2~-benzyl-N-[4-(ethoxycarbonyl)phenyl]-alpha-asparagine structure](/static/products/1022/1022917-30-1.webp)
N~2~-benzyl-N-[4-(ethoxycarbonyl)phenyl]-alpha-asparagine
TL;DR: N~2~-benzyl-N-[4-(ethoxycarbonyl)phenyl]-alpha-asparagine (CAS 1022917-30-1) is a chemical compound with molecular formula C20H22N2O5 and molecular weight 370.15286 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(benzylamino)-4-(4-ethoxycarbonylanilino)-4-oxobutanoic acid
Also Known As: N~2~-benzyl-N-[4-(ethoxycarbonyl)phenyl]-alpha-asparagine, 3-(benzylamino)-4-(4-ethoxycarbonylanilino)-4-oxobutanoic acid, 3-(benzylazaniumyl)-4-(4-ethoxycarbonylanilino)-4-oxobutanoate, 3-(benzylamino)-3-[(4-ethoxycarbonylphenyl)carbamoyl]propanoic Acid, 3-(benzylamino)-4-((4-(ethoxycarbonyl)phenyl)amino)-4-oxobutanoic acid
Technical Specifications
| Molecular Formula | C20H22N2O5 |
| Molecular Weight | 370.15286 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 370.15286 Da |
| Heavy Atoms | 27 |
| Complexity | 497.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC(=O)O)NCC2=CC=CC=C2 |
| InChIKey | NZYXMHZDTMQZKL-UHFFFAOYSA-N |
Chemical Property Profile of N~2~-benzyl-N-[4-(ethoxycarbonyl)phenyl]-alpha-asparagine
Property Insights of N~2~-benzyl-N-[4-(ethoxycarbonyl)phenyl]-alpha-asparagine
The XLogP value of -0.3 indicates that N~2~-benzyl-N-[4-(ethoxycarbonyl)phenyl]-alpha-asparagine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N~2~-benzyl-N-[4-(ethoxycarbonyl)phenyl]-alpha-asparagine. Following Lipinski's Rule of Five, N~2~-benzyl-N-[4-(ethoxycarbonyl)phenyl]-alpha-asparagine has 3 hydrogen bond donor(s) and 6 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-[4-(ethoxycarbonyl)phenyl]-alpha-asparagine?
The CAS number of N~2~-benzyl-N-[4-(ethoxycarbonyl)phenyl]-alpha-asparagine is 1022917-30-1.
What is the molecular formula of N~2~-benzyl-N-[4-(ethoxycarbonyl)phenyl]-alpha-asparagine?
The molecular formula of N~2~-benzyl-N-[4-(ethoxycarbonyl)phenyl]-alpha-asparagine is C20H22N2O5.
What is the molecular weight of N~2~-benzyl-N-[4-(ethoxycarbonyl)phenyl]-alpha-asparagine?
The molecular weight of N~2~-benzyl-N-[4-(ethoxycarbonyl)phenyl]-alpha-asparagine is 370.15286 g/mol.
Where can I buy N~2~-benzyl-N-[4-(ethoxycarbonyl)phenyl]-alpha-asparagine?
You can request a quote for N~2~-benzyl-N-[4-(ethoxycarbonyl)phenyl]-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-[4-(ethoxycarbonyl)phenyl]-alpha-asparagine?
Yes, CoreyChem provides custom synthesis services for N~2~-benzyl-N-[4-(ethoxycarbonyl)phenyl]-alpha-asparagine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.