Octyl 2-cyano-3-ethoxy-2-propenoate
TL;DR: Octyl 2-cyano-3-ethoxy-2-propenoate (CAS 64845-29-0) is a chemical compound with molecular formula C14H23NO3 and molecular weight 253.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl (E)-2-cyano-3-ethoxyprop-2-enoate
Also Known As: Octyl 2-cyano-3-ethoxy-2-propenoate, 2-Propenoic acid, 2-cyano-3-ethoxy-, octyl ester, octyl (E)-2-cyano-3-ethoxyprop-2-enoate
| Molecular Formula | C14H23NO3 |
|---|---|
| Molecular Weight | 253.17 g/mol |
| LogP | 3.33408 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 253.1678 |
| Heavy Atoms | 18 |
| Complexity | 291.90445 |
Chemical Identifiers
| CAS Number | 64845-29-0 |
|---|---|
| SMILES | CCCCCCCCOC(=O)/C(=C/OCC)/C#N |
Product Overview
Octyl 2-cyano-3-ethoxy-2-propenoate (CAS 64845-29-0), with molecular formula C14H23NO3 and molecular weight 253.17 g/mol. IUPAC: octyl (E)-2-cyano-3-ethoxyprop-2-enoate.
Chemical Property Profile of Octyl 2-cyano-3-ethoxy-2-propenoate
Property Insights of Octyl 2-cyano-3-ethoxy-2-propenoate
The XLogP value of 3.33408 indicates that Octyl 2-cyano-3-ethoxy-2-propenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.32 Ų, Octyl 2-cyano-3-ethoxy-2-propenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl 2-cyano-3-ethoxy-2-propenoate 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 Octyl 2-cyano-3-ethoxy-2-propenoate?
The CAS number of Octyl 2-cyano-3-ethoxy-2-propenoate is 64845-29-0.
What is the molecular formula of Octyl 2-cyano-3-ethoxy-2-propenoate?
The molecular formula of Octyl 2-cyano-3-ethoxy-2-propenoate is C14H23NO3.
What is the molecular weight of Octyl 2-cyano-3-ethoxy-2-propenoate?
The molecular weight of Octyl 2-cyano-3-ethoxy-2-propenoate is 253.17 g/mol.
Where can I buy Octyl 2-cyano-3-ethoxy-2-propenoate?
You can request a quote for Octyl 2-cyano-3-ethoxy-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl 2-cyano-3-ethoxy-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for Octyl 2-cyano-3-ethoxy-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.