![Ethyl 3-[bis(2-hydroxyethyl)amino]-2-cyanoprop-2-enoate structure](/static/products/910/91005-83-3.png)
Ethyl 3-[bis(2-hydroxyethyl)amino]-2-cyanoprop-2-enoate
TL;DR: Ethyl 3-[bis(2-hydroxyethyl)amino]-2-cyanoprop-2-enoate (CAS 91005-83-3) is a chemical compound with molecular formula C10H16N2O4 and molecular weight 228.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[bis(2-hydroxyethyl)amino]-2-cyanoprop-2-enoate
Also Known As: ethyl 3-[bis(2-hydroxyethyl)amino]-2-cyanoprop-2-enoate, ETHYL (Z)-3-(BIS(2-HYDROXYETHYL)AMINO)-2-CYANO-PROP-2-ENOATE
| Molecular Formula | C10H16N2O4 |
|---|---|
| Molecular Weight | 228.11 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 93.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 228.11101 |
| Heavy Atoms | 16 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 91005-83-3 |
|---|---|
| SMILES | CCOC(=O)C(=CN(CCO)CCO)C#N |
| InChIKey | VAKVBRFCQUPCKG-UHFFFAOYSA-N |
Product Overview
Ethyl 3-[bis(2-hydroxyethyl)amino]-2-cyanoprop-2-enoate (CAS 91005-83-3), with molecular formula C10H16N2O4 and molecular weight 228.11 g/mol. IUPAC: ethyl 3-[bis(2-hydroxyethyl)amino]-2-cyanoprop-2-enoate.
Chemical Property Profile of Ethyl 3-[bis(2-hydroxyethyl)amino]-2-cyanoprop-2-enoate
Property Insights of Ethyl 3-[bis(2-hydroxyethyl)amino]-2-cyanoprop-2-enoate
The XLogP value of -0.6 indicates that Ethyl 3-[bis(2-hydroxyethyl)amino]-2-cyanoprop-2-enoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[bis(2-hydroxyethyl)amino]-2-cyanoprop-2-enoate. Following Lipinski's Rule of Five, Ethyl 3-[bis(2-hydroxyethyl)amino]-2-cyanoprop-2-enoate has 2 hydrogen bond donor(s) and 6 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 3-[bis(2-hydroxyethyl)amino]-2-cyanoprop-2-enoate?
The CAS number of Ethyl 3-[bis(2-hydroxyethyl)amino]-2-cyanoprop-2-enoate is 91005-83-3.
What is the molecular formula of Ethyl 3-[bis(2-hydroxyethyl)amino]-2-cyanoprop-2-enoate?
The molecular formula of Ethyl 3-[bis(2-hydroxyethyl)amino]-2-cyanoprop-2-enoate is C10H16N2O4.
What is the molecular weight of Ethyl 3-[bis(2-hydroxyethyl)amino]-2-cyanoprop-2-enoate?
The molecular weight of Ethyl 3-[bis(2-hydroxyethyl)amino]-2-cyanoprop-2-enoate is 228.11 g/mol.
Where can I buy Ethyl 3-[bis(2-hydroxyethyl)amino]-2-cyanoprop-2-enoate?
You can request a quote for Ethyl 3-[bis(2-hydroxyethyl)amino]-2-cyanoprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[bis(2-hydroxyethyl)amino]-2-cyanoprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[bis(2-hydroxyethyl)amino]-2-cyanoprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.