Ethyl 2-(((benzyloxy)carbonyl)amino)-2-cyanoacetate
TL;DR: Ethyl 2-(((benzyloxy)carbonyl)amino)-2-cyanoacetate (CAS 3878-13-5) is a chemical compound with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-(phenylmethoxycarbonylamino)acetate
Also Known As: Ethyl 2-(((benzyloxy)carbonyl)amino)-2-cyanoacetate, ethyl 2-benzyloxycarbonylamino-2-cyanoacetate, Ethyl 2-(Cbz-amino)-2-cyanoacetate, ETHYL 2-(BENZYLOXYCARBONYLAMINO)-2-CYANOACETATE, ethyl 2-cyano-2-(phenylmethoxycarbonylamino)acetate
| Molecular Formula | C13H14N2O4 |
|---|---|
| Molecular Weight | 262.10 g/mol |
| LogP | 1.36808 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 262.09537 |
| Heavy Atoms | 19 |
| Complexity | 467.28162 |
Chemical Identifiers
| CAS Number | 3878-13-5 |
|---|---|
| SMILES | CCOC(=O)C(C#N)NC(=O)OCC1=CC=CC=C1 |
Product Overview
Ethyl 2-(((benzyloxy)carbonyl)amino)-2-cyanoacetate (CAS 3878-13-5), with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol. IUPAC: ethyl 2-cyano-2-(phenylmethoxycarbonylamino)acetate.
Chemical Property Profile of Ethyl 2-(((benzyloxy)carbonyl)amino)-2-cyanoacetate
Property Insights of Ethyl 2-(((benzyloxy)carbonyl)amino)-2-cyanoacetate
The XLogP value of 1.36808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(((benzyloxy)carbonyl)amino)-2-cyanoacetate. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(((benzyloxy)carbonyl)amino)-2-cyanoacetate. Following Lipinski's Rule of Five, Ethyl 2-(((benzyloxy)carbonyl)amino)-2-cyanoacetate has 1 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 2-(((benzyloxy)carbonyl)amino)-2-cyanoacetate?
The CAS number of Ethyl 2-(((benzyloxy)carbonyl)amino)-2-cyanoacetate is 3878-13-5.
What is the molecular formula of Ethyl 2-(((benzyloxy)carbonyl)amino)-2-cyanoacetate?
The molecular formula of Ethyl 2-(((benzyloxy)carbonyl)amino)-2-cyanoacetate is C13H14N2O4.
What is the molecular weight of Ethyl 2-(((benzyloxy)carbonyl)amino)-2-cyanoacetate?
The molecular weight of Ethyl 2-(((benzyloxy)carbonyl)amino)-2-cyanoacetate is 262.10 g/mol.
Where can I buy Ethyl 2-(((benzyloxy)carbonyl)amino)-2-cyanoacetate?
You can request a quote for Ethyl 2-(((benzyloxy)carbonyl)amino)-2-cyanoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(((benzyloxy)carbonyl)amino)-2-cyanoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(((benzyloxy)carbonyl)amino)-2-cyanoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.