(S)-2-Acetamido-4-(tert-butoxy)-4-oxobutanoic acid
TL;DR: (S)-2-Acetamido-4-(tert-butoxy)-4-oxobutanoic acid (CAS 1026951-84-7) is a chemical compound with molecular formula C10H17NO5 and molecular weight 231.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-acetamido-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
Also Known As: (S)-2-Acetamido-4-(tert-butoxy)-4-oxobutanoic acid, N-Acetyl-L-aspartic acid 4-tert-butyl ester, 0655AA, Acetyl-L-aspartic acid beta-tert-butyl ester, Acetyl-L-aspartic acid beta-tert-butyl ester
| Molecular Formula | C10H17NO5 |
|---|---|
| Molecular Weight | 231.11 g/mol |
| LogP | 0.3075 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.11067 |
| Heavy Atoms | 16 |
| Complexity | 292.07474 |
Chemical Identifiers
| CAS Number | 1026951-84-7 |
|---|---|
| SMILES | CC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)O |
Product Overview
(S)-2-Acetamido-4-(tert-butoxy)-4-oxobutanoic acid (CAS 1026951-84-7), with molecular formula C10H17NO5 and molecular weight 231.11 g/mol. IUPAC: (2S)-2-acetamido-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid.
Chemical Property Profile of (S)-2-Acetamido-4-(tert-butoxy)-4-oxobutanoic acid
Property Insights of (S)-2-Acetamido-4-(tert-butoxy)-4-oxobutanoic acid
The XLogP value of 0.3075 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-Acetamido-4-(tert-butoxy)-4-oxobutanoic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-Acetamido-4-(tert-butoxy)-4-oxobutanoic acid. Following Lipinski's Rule of Five, (S)-2-Acetamido-4-(tert-butoxy)-4-oxobutanoic acid has 2 hydrogen bond donor(s) and 4 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 (S)-2-Acetamido-4-(tert-butoxy)-4-oxobutanoic acid?
The CAS number of (S)-2-Acetamido-4-(tert-butoxy)-4-oxobutanoic acid is 1026951-84-7.
What is the molecular formula of (S)-2-Acetamido-4-(tert-butoxy)-4-oxobutanoic acid?
The molecular formula of (S)-2-Acetamido-4-(tert-butoxy)-4-oxobutanoic acid is C10H17NO5.
What is the molecular weight of (S)-2-Acetamido-4-(tert-butoxy)-4-oxobutanoic acid?
The molecular weight of (S)-2-Acetamido-4-(tert-butoxy)-4-oxobutanoic acid is 231.11 g/mol.
Where can I buy (S)-2-Acetamido-4-(tert-butoxy)-4-oxobutanoic acid?
You can request a quote for (S)-2-Acetamido-4-(tert-butoxy)-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 (S)-2-Acetamido-4-(tert-butoxy)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-Acetamido-4-(tert-butoxy)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.