Ethyl N2-((benzyloxy)carbonyl)-L-asparaginate
TL;DR: Ethyl N2-((benzyloxy)carbonyl)-L-asparaginate (CAS 4668-38-6) is a chemical compound with molecular formula C14H18N2O5 and molecular weight 294.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoate
Also Known As: Z-ASN-OET, Ethyl N2-((benzyloxy)carbonyl)-L-asparaginate, N--Z-L-asparagine ethyl ester, (S)-Ethyl 4-amino-2-(((benzyloxy)carbonyl)amino)-4-oxobutanoate, ethyl ((benzyloxy)carbonyl)-L-asparaginate
| Molecular Formula | C14H18N2O5 |
|---|---|
| Molecular Weight | 294.12 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 294.12158 |
| Heavy Atoms | 21 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 4668-38-6 |
|---|---|
| SMILES | CCOC(=O)[C@H](CC(=O)N)NC(=O)OCC1=CC=CC=C1 |
| InChIKey | QWZKOFAVRZENGY-NSHDSACASA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl N2-((benzyloxy)carbonyl)-L-asparaginate (CAS 4668-38-6), with molecular formula C14H18N2O5 and molecular weight 294.12 g/mol. IUPAC: ethyl (2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoate.
Chemical Property Profile of Ethyl N2-((benzyloxy)carbonyl)-L-asparaginate
Property Insights of Ethyl N2-((benzyloxy)carbonyl)-L-asparaginate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl N2-((benzyloxy)carbonyl)-L-asparaginate. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl N2-((benzyloxy)carbonyl)-L-asparaginate. Following Lipinski's Rule of Five, Ethyl N2-((benzyloxy)carbonyl)-L-asparaginate 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 Ethyl N2-((benzyloxy)carbonyl)-L-asparaginate?
The CAS number of Ethyl N2-((benzyloxy)carbonyl)-L-asparaginate is 4668-38-6.
What is the molecular formula of Ethyl N2-((benzyloxy)carbonyl)-L-asparaginate?
The molecular formula of Ethyl N2-((benzyloxy)carbonyl)-L-asparaginate is C14H18N2O5.
What is the molecular weight of Ethyl N2-((benzyloxy)carbonyl)-L-asparaginate?
The molecular weight of Ethyl N2-((benzyloxy)carbonyl)-L-asparaginate is 294.12 g/mol.
Where can I buy Ethyl N2-((benzyloxy)carbonyl)-L-asparaginate?
You can request a quote for Ethyl N2-((benzyloxy)carbonyl)-L-asparaginate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl N2-((benzyloxy)carbonyl)-L-asparaginate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl N2-((benzyloxy)carbonyl)-L-asparaginate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.