4-(tert-Butoxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid
TL;DR: 4-(tert-Butoxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid (CAS 155542-33-9) is a chemical compound with molecular formula C13H23NO6 and molecular weight 289.15253 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
Also Known As: Boc-Asp(OtBu)-OH, BOC-D-ASP(OTBU)-OH, 4-(tert-Butoxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid, Boc-L-aspartic acid 4-tert-butyl ester, Boc-D-aspartic acid-b-tert-butyl ester
Technical Specifications
| Molecular Formula | C13H23NO6 |
| Molecular Weight | 289.15253 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 289.15253 Da |
| Heavy Atoms | 20 |
| Complexity | 377.0 |
| SMILES | CC(C)(C)OC(=O)CC(C(=O)O)NC(=O)OC(C)(C)C |
| InChIKey | PHJDCONJXLIIPW-UHFFFAOYSA-N |
Chemical Property Profile of 4-(tert-Butoxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid
Property Insights of 4-(tert-Butoxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(tert-Butoxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(tert-Butoxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(tert-Butoxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid has 2 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 4-(tert-Butoxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid?
The CAS number of 4-(tert-Butoxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid is 155542-33-9.
What is the molecular formula of 4-(tert-Butoxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid?
The molecular formula of 4-(tert-Butoxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid is C13H23NO6.
What is the molecular weight of 4-(tert-Butoxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid?
The molecular weight of 4-(tert-Butoxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid is 289.15253 g/mol.
Where can I buy 4-(tert-Butoxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid?
You can request a quote for 4-(tert-Butoxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(tert-Butoxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(tert-Butoxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.