![(3S)-4-(tert-butoxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid structure](/static/products/770/77004-75-2.png)
(3S)-4-(tert-butoxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid
TL;DR: (3S)-4-(tert-butoxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid (CAS 77004-75-2) is a chemical compound with molecular formula C13H23NO6 and molecular weight 289.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
Also Known As: Boc-Asp-OtBu, Boc-d-asp-otbu, Boc-L-Asp-OtBu, Boc-L-Aspartic acid 1-tert-butyl ester, Boc-Asp-O-t-Butyl
| Molecular Formula | C13H23NO6 |
|---|---|
| Molecular Weight | 289.15 g/mol |
| LogP | 1.6961 |
| Topological Polar Surface Area | 101.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.15253 |
| Heavy Atoms | 20 |
| Complexity | 377.30307 |
Chemical Identifiers
| CAS Number | 77004-75-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)OC(C)(C)C |
Product Overview
(3S)-4-(tert-butoxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid (CAS 77004-75-2), with molecular formula C13H23NO6 and molecular weight 289.15 g/mol. IUPAC: (3S)-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid.
Chemical Property Profile of (3S)-4-(tert-butoxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid
Property Insights of (3S)-4-(tert-butoxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid
The XLogP value of 1.6961 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-4-(tert-butoxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid. The TPSA of 101.93 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-4-(tert-butoxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid. Following Lipinski's Rule of Five, (3S)-4-(tert-butoxy)-3-{[(tert-butoxy)carbonyl]amino}-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 (3S)-4-(tert-butoxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid?
The CAS number of (3S)-4-(tert-butoxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid is 77004-75-2.
What is the molecular formula of (3S)-4-(tert-butoxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid?
The molecular formula of (3S)-4-(tert-butoxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid is C13H23NO6.
What is the molecular weight of (3S)-4-(tert-butoxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid?
The molecular weight of (3S)-4-(tert-butoxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid is 289.15 g/mol.
Where can I buy (3S)-4-(tert-butoxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid?
You can request a quote for (3S)-4-(tert-butoxy)-3-{[(tert-butoxy)carbonyl]amino}-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 (3S)-4-(tert-butoxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (3S)-4-(tert-butoxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.