3-Amino-4-(benzyloxy)-4-oxobutanoic acid
TL;DR: 3-Amino-4-(benzyloxy)-4-oxobutanoic acid (CAS 74126-99-1) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-oxo-4-phenylmethoxybutanoic acid
Also Known As: H-Asp-OBzl, H-D-Asp-OBzl, L-Asp-OBzl-OH, 1-Benzyl D-Aspartate, L-Aspartic acid benzyl ester
| Molecular Formula | C11H13NO4 |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 89.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 223.08446 |
| Heavy Atoms | 16 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 74126-99-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C(CC(=O)O)N |
| InChIKey | NJSRYBIBUXBNSW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-4-(benzyloxy)-4-oxobutanoic acid (CAS 74126-99-1), with molecular formula C11H13NO4 and molecular weight 223.08 g/mol. IUPAC: 3-amino-4-oxo-4-phenylmethoxybutanoic acid.
Chemical Property Profile of 3-Amino-4-(benzyloxy)-4-oxobutanoic acid
Property Insights of 3-Amino-4-(benzyloxy)-4-oxobutanoic acid
The XLogP value of -2.0 indicates that 3-Amino-4-(benzyloxy)-4-oxobutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-4-(benzyloxy)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 3-Amino-4-(benzyloxy)-4-oxobutanoic acid has 2 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 3-Amino-4-(benzyloxy)-4-oxobutanoic acid?
The CAS number of 3-Amino-4-(benzyloxy)-4-oxobutanoic acid is 74126-99-1.
What is the molecular formula of 3-Amino-4-(benzyloxy)-4-oxobutanoic acid?
The molecular formula of 3-Amino-4-(benzyloxy)-4-oxobutanoic acid is C11H13NO4.
What is the molecular weight of 3-Amino-4-(benzyloxy)-4-oxobutanoic acid?
The molecular weight of 3-Amino-4-(benzyloxy)-4-oxobutanoic acid is 223.08 g/mol.
Where can I buy 3-Amino-4-(benzyloxy)-4-oxobutanoic acid?
You can request a quote for 3-Amino-4-(benzyloxy)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-4-(benzyloxy)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-4-(benzyloxy)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.