Benzyl ((benzyloxy)carbonyl)-L-asparaginate
TL;DR: Benzyl ((benzyloxy)carbonyl)-L-asparaginate (CAS 4668-39-7) is a chemical compound with molecular formula C19H20N2O5 and molecular weight 356.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoate
Also Known As: Benzyl ((benzyloxy)carbonyl)-L-asparaginate, J1.778.058A, N2-(Benzyloxycarbonyl)asparagine benzyl ester, N2-(Benzyloxycarbonyl)-L-asparagine benzyl ester, benzyl 4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoate
| Molecular Formula | C19H20N2O5 |
|---|---|
| Molecular Weight | 356.14 g/mol |
| LogP | 1.9002 |
| Topological Polar Surface Area | 107.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 356.1372 |
| Heavy Atoms | 26 |
| Complexity | 734.1094 |
Chemical Identifiers
| CAS Number | 4668-39-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)[C@H](CC(=O)N)NC(=O)OCC2=CC=CC=C2 |
Product Overview
Benzyl ((benzyloxy)carbonyl)-L-asparaginate (CAS 4668-39-7), with molecular formula C19H20N2O5 and molecular weight 356.14 g/mol. IUPAC: benzyl (2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoate.
Chemical Property Profile of Benzyl ((benzyloxy)carbonyl)-L-asparaginate
Property Insights of Benzyl ((benzyloxy)carbonyl)-L-asparaginate
The XLogP value of 1.9002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl ((benzyloxy)carbonyl)-L-asparaginate. The TPSA of 107.72 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl ((benzyloxy)carbonyl)-L-asparaginate. Following Lipinski's Rule of Five, Benzyl ((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 Benzyl ((benzyloxy)carbonyl)-L-asparaginate?
The CAS number of Benzyl ((benzyloxy)carbonyl)-L-asparaginate is 4668-39-7.
What is the molecular formula of Benzyl ((benzyloxy)carbonyl)-L-asparaginate?
The molecular formula of Benzyl ((benzyloxy)carbonyl)-L-asparaginate is C19H20N2O5.
What is the molecular weight of Benzyl ((benzyloxy)carbonyl)-L-asparaginate?
The molecular weight of Benzyl ((benzyloxy)carbonyl)-L-asparaginate is 356.14 g/mol.
Where can I buy Benzyl ((benzyloxy)carbonyl)-L-asparaginate?
You can request a quote for Benzyl ((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 Benzyl ((benzyloxy)carbonyl)-L-asparaginate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl ((benzyloxy)carbonyl)-L-asparaginate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.