![benzyl N~2~-[(benzyloxy)carbonyl]asparaginate structure](/static/products/126/126401-12-5.png)
benzyl N~2~-[(benzyloxy)carbonyl]asparaginate
TL;DR: benzyl N~2~-[(benzyloxy)carbonyl]asparaginate (CAS 126401-12-5) 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 4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoate
Also Known As: benzyl N~2~-[(benzyloxy)carbonyl]asparaginate, N2-Benzyloxycarbonyl-L-asparagin-benzylester, benzyl 4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoate, benzyl 3-carbamoyl-2-phenylmethoxycarbonylamino-propanoate, benzyl 4-amino-2-(((benzyloxy)carbonyl)amino)-4-oxobutanoate
| Molecular Formula | C19H20N2O5 |
|---|---|
| Molecular Weight | 356.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 356.1372 |
| Heavy Atoms | 26 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 126401-12-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C(CC(=O)N)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | JBYVWMGAQVTMOK-UHFFFAOYSA-N |
Product Overview
benzyl N~2~-[(benzyloxy)carbonyl]asparaginate (CAS 126401-12-5), with molecular formula C19H20N2O5 and molecular weight 356.14 g/mol. IUPAC: benzyl 4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoate.
Chemical Property Profile of benzyl N~2~-[(benzyloxy)carbonyl]asparaginate
Property Insights of benzyl N~2~-[(benzyloxy)carbonyl]asparaginate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl N~2~-[(benzyloxy)carbonyl]asparaginate. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl N~2~-[(benzyloxy)carbonyl]asparaginate. Following Lipinski's Rule of Five, benzyl N~2~-[(benzyloxy)carbonyl]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 N~2~-[(benzyloxy)carbonyl]asparaginate?
The CAS number of benzyl N~2~-[(benzyloxy)carbonyl]asparaginate is 126401-12-5.
What is the molecular formula of benzyl N~2~-[(benzyloxy)carbonyl]asparaginate?
The molecular formula of benzyl N~2~-[(benzyloxy)carbonyl]asparaginate is C19H20N2O5.
What is the molecular weight of benzyl N~2~-[(benzyloxy)carbonyl]asparaginate?
The molecular weight of benzyl N~2~-[(benzyloxy)carbonyl]asparaginate is 356.14 g/mol.
Where can I buy benzyl N~2~-[(benzyloxy)carbonyl]asparaginate?
You can request a quote for benzyl N~2~-[(benzyloxy)carbonyl]asparaginate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl N~2~-[(benzyloxy)carbonyl]asparaginate?
Yes, KEHONG BIO provides custom synthesis services for benzyl N~2~-[(benzyloxy)carbonyl]asparaginate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.