acetate structure](/static/products/7067/706771-83-7.webp)
Ethyl [bis(2-cyanoethyl)amino](oxo)acetate
TL;DR: Ethyl [bis(2-cyanoethyl)amino](oxo)acetate (CAS 706771-83-7) is a chemical compound with molecular formula C10H13N3O3 and molecular weight 223.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[bis(2-cyanoethyl)amino]-2-oxoacetate
Also Known As: ethyl [bis(2-cyanoethyl)amino](oxo)acetate, ethyl [N,N-bis(2-cyanoethyl)carbamoyl]formate, ethyl 2-(bis(2-cyanoethyl)amino)-2-oxoacetate, ethyl 2-[bis(2-cyanoethyl)amino]-2-oxoacetate, ETHYL [BIS(2-CYANOETHYL)CARBAMOYL]FORMATE
| Molecular Formula | C10H13N3O3 |
|---|---|
| Molecular Weight | 223.10 g/mol |
| LogP | 0.20546 |
| Topological Polar Surface Area | 94.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.09569 |
| Heavy Atoms | 16 |
| Complexity | 309.1814 |
Chemical Identifiers
| CAS Number | 706771-83-7 |
|---|---|
| SMILES | CCOC(=O)C(=O)N(CCC#N)CCC#N |
Product Overview
Ethyl [bis(2-cyanoethyl)amino](oxo)acetate (CAS 706771-83-7), with molecular formula C10H13N3O3 and molecular weight 223.10 g/mol. IUPAC: ethyl 2-[bis(2-cyanoethyl)amino]-2-oxoacetate.
Chemical Property Profile of Ethyl [bis(2-cyanoethyl)amino](oxo)acetate
Property Insights of Ethyl [bis(2-cyanoethyl)amino](oxo)acetate
The XLogP value of 0.20546 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl [bis(2-cyanoethyl)amino](oxo)acetate. The TPSA of 94.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl [bis(2-cyanoethyl)amino](oxo)acetate. Following Lipinski's Rule of Five, Ethyl [bis(2-cyanoethyl)amino](oxo)acetate has 0 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 [bis(2-cyanoethyl)amino](oxo)acetate?
The CAS number of Ethyl [bis(2-cyanoethyl)amino](oxo)acetate is 706771-83-7.
What is the molecular formula of Ethyl [bis(2-cyanoethyl)amino](oxo)acetate?
The molecular formula of Ethyl [bis(2-cyanoethyl)amino](oxo)acetate is C10H13N3O3.
What is the molecular weight of Ethyl [bis(2-cyanoethyl)amino](oxo)acetate?
The molecular weight of Ethyl [bis(2-cyanoethyl)amino](oxo)acetate is 223.10 g/mol.
Where can I buy Ethyl [bis(2-cyanoethyl)amino](oxo)acetate?
You can request a quote for Ethyl [bis(2-cyanoethyl)amino](oxo)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl [bis(2-cyanoethyl)amino](oxo)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [bis(2-cyanoethyl)amino](oxo)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.