Hexyl 2-cyano-3-(methylamino)prop-2-enoate
TL;DR: Hexyl 2-cyano-3-(methylamino)prop-2-enoate (CAS 89268-96-2) is a chemical compound with molecular formula C11H18N2O2 and molecular weight 210.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 2-cyano-3-(methylamino)prop-2-enoate
Also Known As: Hexyl 3-(methylamino)-2-cyanoacrylate, hexyl 2-cyano-3-(methylamino)prop-2-enoate, Hexyl (E)-2-cyano-3-methylamino-prop-2-enoate, 2-Propenoic acid, 2-cyano-3-(methylamino)-, hexyl ester
| Molecular Formula | C11H18N2O2 |
|---|---|
| Molecular Weight | 210.14 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 210.13683 |
| Heavy Atoms | 15 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 89268-96-2 |
|---|---|
| SMILES | CCCCCCOC(=O)C(=CNC)C#N |
| InChIKey | IWKCZDGXQDWTQR-UHFFFAOYSA-N |
Product Overview
Hexyl 2-cyano-3-(methylamino)prop-2-enoate (CAS 89268-96-2), with molecular formula C11H18N2O2 and molecular weight 210.14 g/mol. IUPAC: hexyl 2-cyano-3-(methylamino)prop-2-enoate.
Chemical Property Profile of Hexyl 2-cyano-3-(methylamino)prop-2-enoate
Property Insights of Hexyl 2-cyano-3-(methylamino)prop-2-enoate
The XLogP value of 3.2 indicates that Hexyl 2-cyano-3-(methylamino)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 Hexyl 2-cyano-3-(methylamino)prop-2-enoate. Following Lipinski's Rule of Five, Hexyl 2-cyano-3-(methylamino)prop-2-enoate has 1 hydrogen bond donor(s) and 4 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 Hexyl 2-cyano-3-(methylamino)prop-2-enoate?
The CAS number of Hexyl 2-cyano-3-(methylamino)prop-2-enoate is 89268-96-2.
What is the molecular formula of Hexyl 2-cyano-3-(methylamino)prop-2-enoate?
The molecular formula of Hexyl 2-cyano-3-(methylamino)prop-2-enoate is C11H18N2O2.
What is the molecular weight of Hexyl 2-cyano-3-(methylamino)prop-2-enoate?
The molecular weight of Hexyl 2-cyano-3-(methylamino)prop-2-enoate is 210.14 g/mol.
Where can I buy Hexyl 2-cyano-3-(methylamino)prop-2-enoate?
You can request a quote for Hexyl 2-cyano-3-(methylamino)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 Hexyl 2-cyano-3-(methylamino)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl 2-cyano-3-(methylamino)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.