Decyl 2-cyano-3-(ethylamino)prop-2-enoate
TL;DR: Decyl 2-cyano-3-(ethylamino)prop-2-enoate (CAS 91235-02-8) is a chemical compound with molecular formula C16H28N2O2 and molecular weight 280.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decyl 2-cyano-3-(ethylamino)prop-2-enoate
Also Known As: Decyl (E)-2-cyano-3-ethylamino-prop-2-enoate, 2-Propenoic acid, 2-cyano-3-(ethylamino)-, decyl ester, (Z)-
| Molecular Formula | C16H28N2O2 |
|---|---|
| Molecular Weight | 280.22 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 280.2151 |
| Heavy Atoms | 20 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 91235-02-8 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C(=CNCC)C#N |
| InChIKey | DWGXMRYNARWVBV-UHFFFAOYSA-N |
Product Overview
Decyl 2-cyano-3-(ethylamino)prop-2-enoate (CAS 91235-02-8), with molecular formula C16H28N2O2 and molecular weight 280.22 g/mol. IUPAC: decyl 2-cyano-3-(ethylamino)prop-2-enoate.
Chemical Property Profile of Decyl 2-cyano-3-(ethylamino)prop-2-enoate
Property Insights of Decyl 2-cyano-3-(ethylamino)prop-2-enoate
The XLogP value of 5.7 indicates that Decyl 2-cyano-3-(ethylamino)prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Decyl 2-cyano-3-(ethylamino)prop-2-enoate. Following Lipinski's Rule of Five, Decyl 2-cyano-3-(ethylamino)prop-2-enoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Decyl 2-cyano-3-(ethylamino)prop-2-enoate?
The CAS number of Decyl 2-cyano-3-(ethylamino)prop-2-enoate is 91235-02-8.
What is the molecular formula of Decyl 2-cyano-3-(ethylamino)prop-2-enoate?
The molecular formula of Decyl 2-cyano-3-(ethylamino)prop-2-enoate is C16H28N2O2.
What is the molecular weight of Decyl 2-cyano-3-(ethylamino)prop-2-enoate?
The molecular weight of Decyl 2-cyano-3-(ethylamino)prop-2-enoate is 280.22 g/mol.
Where can I buy Decyl 2-cyano-3-(ethylamino)prop-2-enoate?
You can request a quote for Decyl 2-cyano-3-(ethylamino)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decyl 2-cyano-3-(ethylamino)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Decyl 2-cyano-3-(ethylamino)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.