4-Benzyl 1-(2,5-dioxopyrrolidin-1-yl) ((benzyloxy)carbonyl)-L-aspartate
TL;DR: 4-Benzyl 1-(2,5-dioxopyrrolidin-1-yl) ((benzyloxy)carbonyl)-L-aspartate (CAS 61464-33-3) is a chemical compound with molecular formula C23H22N2O8 and molecular weight 454.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-benzyl 1-O-(2,5-dioxopyrrolidin-1-yl) 2-(phenylmethoxycarbonylamino)butanedioate
Also Known As: Z-Asp(OBzl)-OSu, (2,5-dioxopyrrolidin-1-yl) Benzyl 2-phenylmethoxycarbonylaminobutanedioate, 4-Benzyl 1-(2,5-dioxopyrrolidin-1-yl) ((benzyloxy)carbonyl)-L-aspartate, 1-benzyl 2,5-dioxopyrrolidin-1-yl 3-{[(benzyloxy)carbonyl]amino}butanedioate, 4-O-benzyl 1-O-(2,5-dioxopyrrolidin-1-yl) 2-(phenylmethoxycarbonylamino)butanedioate
| Molecular Formula | C23H22N2O8 |
|---|---|
| Molecular Weight | 454.14 g/mol |
| LogP | 2.0221 |
| Topological Polar Surface Area | 128.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 454.1376 |
| Heavy Atoms | 33 |
| Complexity | 936.13617 |
Chemical Identifiers
| CAS Number | 61464-33-3 |
|---|---|
| SMILES | C1CC(=O)N(C1=O)OC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3 |
Product Overview
4-Benzyl 1-(2,5-dioxopyrrolidin-1-yl) ((benzyloxy)carbonyl)-L-aspartate (CAS 61464-33-3), with molecular formula C23H22N2O8 and molecular weight 454.14 g/mol. IUPAC: 4-O-benzyl 1-O-(2,5-dioxopyrrolidin-1-yl) 2-(phenylmethoxycarbonylamino)butanedioate.
Chemical Property Profile of 4-Benzyl 1-(2,5-dioxopyrrolidin-1-yl) ((benzyloxy)carbonyl)-L-aspartate
Property Insights of 4-Benzyl 1-(2,5-dioxopyrrolidin-1-yl) ((benzyloxy)carbonyl)-L-aspartate
The XLogP value of 2.0221 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzyl 1-(2,5-dioxopyrrolidin-1-yl) ((benzyloxy)carbonyl)-L-aspartate. The TPSA of 128.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzyl 1-(2,5-dioxopyrrolidin-1-yl) ((benzyloxy)carbonyl)-L-aspartate. Following Lipinski's Rule of Five, 4-Benzyl 1-(2,5-dioxopyrrolidin-1-yl) ((benzyloxy)carbonyl)-L-aspartate has 1 hydrogen bond donor(s) and 8 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-Benzyl 1-(2,5-dioxopyrrolidin-1-yl) ((benzyloxy)carbonyl)-L-aspartate?
The CAS number of 4-Benzyl 1-(2,5-dioxopyrrolidin-1-yl) ((benzyloxy)carbonyl)-L-aspartate is 61464-33-3.
What is the molecular formula of 4-Benzyl 1-(2,5-dioxopyrrolidin-1-yl) ((benzyloxy)carbonyl)-L-aspartate?
The molecular formula of 4-Benzyl 1-(2,5-dioxopyrrolidin-1-yl) ((benzyloxy)carbonyl)-L-aspartate is C23H22N2O8.
What is the molecular weight of 4-Benzyl 1-(2,5-dioxopyrrolidin-1-yl) ((benzyloxy)carbonyl)-L-aspartate?
The molecular weight of 4-Benzyl 1-(2,5-dioxopyrrolidin-1-yl) ((benzyloxy)carbonyl)-L-aspartate is 454.14 g/mol.
Where can I buy 4-Benzyl 1-(2,5-dioxopyrrolidin-1-yl) ((benzyloxy)carbonyl)-L-aspartate?
You can request a quote for 4-Benzyl 1-(2,5-dioxopyrrolidin-1-yl) ((benzyloxy)carbonyl)-L-aspartate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzyl 1-(2,5-dioxopyrrolidin-1-yl) ((benzyloxy)carbonyl)-L-aspartate?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyl 1-(2,5-dioxopyrrolidin-1-yl) ((benzyloxy)carbonyl)-L-aspartate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.