2-Propenoic acid, 2-cyano-3-ethoxy-, hexyl ester
TL;DR: 2-Propenoic acid, 2-cyano-3-ethoxy-, hexyl ester (CAS 80677-67-4) is a chemical compound with molecular formula C12H19NO3 and molecular weight 225.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl (E)-2-cyano-3-ethoxyprop-2-enoate
Also Known As: 2-Propenoic acid, 2-cyano-3-ethoxy-, hexyl ester, hexyl (E)-2-cyano-3-ethoxyprop-2-enoate, Hexyl (E)-2-cyano-3-ethoxy-prop-2-enoate
| Molecular Formula | C12H19NO3 |
|---|---|
| Molecular Weight | 225.14 g/mol |
| LogP | 2.55388 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 225.13649 |
| Heavy Atoms | 16 |
| Complexity | 265.92767 |
Chemical Identifiers
| CAS Number | 80677-67-4 |
|---|---|
| SMILES | CCCCCCOC(=O)/C(=C/OCC)/C#N |
Product Overview
2-Propenoic acid, 2-cyano-3-ethoxy-, hexyl ester (CAS 80677-67-4), with molecular formula C12H19NO3 and molecular weight 225.14 g/mol. IUPAC: hexyl (E)-2-cyano-3-ethoxyprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-cyano-3-ethoxy-, hexyl ester
Property Insights of 2-Propenoic acid, 2-cyano-3-ethoxy-, hexyl ester
The XLogP value of 2.55388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-cyano-3-ethoxy-, hexyl ester. With a topological polar surface area (TPSA) of 59.32 Ų, 2-Propenoic acid, 2-cyano-3-ethoxy-, hexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-cyano-3-ethoxy-, hexyl ester has 0 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 2-Propenoic acid, 2-cyano-3-ethoxy-, hexyl ester?
The CAS number of 2-Propenoic acid, 2-cyano-3-ethoxy-, hexyl ester is 80677-67-4.
What is the molecular formula of 2-Propenoic acid, 2-cyano-3-ethoxy-, hexyl ester?
The molecular formula of 2-Propenoic acid, 2-cyano-3-ethoxy-, hexyl ester is C12H19NO3.
What is the molecular weight of 2-Propenoic acid, 2-cyano-3-ethoxy-, hexyl ester?
The molecular weight of 2-Propenoic acid, 2-cyano-3-ethoxy-, hexyl ester is 225.14 g/mol.
Where can I buy 2-Propenoic acid, 2-cyano-3-ethoxy-, hexyl ester?
You can request a quote for 2-Propenoic acid, 2-cyano-3-ethoxy-, hexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 2-cyano-3-ethoxy-, hexyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-cyano-3-ethoxy-, hexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.