![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 370.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C20H22N2O5 |
|---|---|
| Molecular Weight | 370.15 g/mol |
| LogP | 2.4349 |
| Topological Polar Surface Area | 104.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 370.15286 |
| Heavy Atoms | 27 |
| Complexity | 774.7189 |
Chemical Identifiers
| CAS Number | 1022917-30-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC(=O)O)NCC2=CC=CC=C2 |
Product Overview
N~2~-benzyl-N-[4-(ethoxycarbonyl)phenyl]-alpha-asparagine (CAS 1022917-30-1), with molecular formula C20H22N2O5 and molecular weight 370.15 g/mol. IUPAC: 3-(benzylamino)-4-(4-ethoxycarbonylanilino)-4-oxobutanoic acid.
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 2.4349 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~2~-benzyl-N-[4-(ethoxycarbonyl)phenyl]-alpha-asparagine. The TPSA of 104.73 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 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
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 370.15 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~2~-benzyl-N-[4-(ethoxycarbonyl)phenyl]-alpha-asparagine?
Yes, KEHONG BIO 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.