![4-(Benzyloxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid structure](/static/products/928/92828-64-3.png)
4-(Benzyloxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid
TL;DR: 4-(Benzyloxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid (CAS 92828-64-3) is a chemical compound with molecular formula C16H21NO6 and molecular weight 323.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoic acid
Also Known As: Boc-Asp-OBzl, Boc-D-Asp-OBzl, Boc-L-aspartic acid 1-benzyl ester, 4-(benzyloxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid, Boc-D-aspartic acid a-benzyl ester
| Molecular Formula | C16H21NO6 |
|---|---|
| Molecular Weight | 323.14 g/mol |
| LogP | 2.0978 |
| Topological Polar Surface Area | 101.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.1369 |
| Heavy Atoms | 23 |
| Complexity | 549.4389 |
Chemical Identifiers
| CAS Number | 92828-64-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(CC(=O)O)C(=O)OCC1=CC=CC=C1 |
Product Overview
4-(Benzyloxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid (CAS 92828-64-3), with molecular formula C16H21NO6 and molecular weight 323.14 g/mol. IUPAC: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoic acid.
Chemical Property Profile of 4-(Benzyloxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid
Property Insights of 4-(Benzyloxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid
The XLogP value of 2.0978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Benzyloxy)-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 4-(Benzyloxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(Benzyloxy)-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 4-(Benzyloxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid?
The CAS number of 4-(Benzyloxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid is 92828-64-3.
What is the molecular formula of 4-(Benzyloxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid?
The molecular formula of 4-(Benzyloxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid is C16H21NO6.
What is the molecular weight of 4-(Benzyloxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid?
The molecular weight of 4-(Benzyloxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid is 323.14 g/mol.
Where can I buy 4-(Benzyloxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid?
You can request a quote for 4-(Benzyloxy)-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 4-(Benzyloxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzyloxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.