2-Propenoic acid, 2-cyano-3-ethoxy-, decyl ester
TL;DR: 2-Propenoic acid, 2-cyano-3-ethoxy-, decyl ester (CAS 89269-06-7) is a chemical compound with molecular formula C16H27NO3 and molecular weight 281.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decyl (E)-2-cyano-3-ethoxyprop-2-enoate
Also Known As: 2-Propenoic acid, 2-cyano-3-ethoxy-, decyl ester, decyl (E)-2-cyano-3-ethoxyprop-2-enoate, Decyl (E)-2-cyano-3-ethoxy-prop-2-enoate
| Molecular Formula | C16H27NO3 |
|---|---|
| Molecular Weight | 281.20 g/mol |
| LogP | 4.11428 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 281.1991 |
| Heavy Atoms | 20 |
| Complexity | 318.1739 |
Chemical Identifiers
| CAS Number | 89269-06-7 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)/C(=C/OCC)/C#N |
Product Overview
2-Propenoic acid, 2-cyano-3-ethoxy-, decyl ester (CAS 89269-06-7), with molecular formula C16H27NO3 and molecular weight 281.20 g/mol. IUPAC: decyl (E)-2-cyano-3-ethoxyprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-cyano-3-ethoxy-, decyl ester
Property Insights of 2-Propenoic acid, 2-cyano-3-ethoxy-, decyl ester
The XLogP value of 4.11428 indicates that 2-Propenoic acid, 2-cyano-3-ethoxy-, decyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.32 Ų, 2-Propenoic acid, 2-cyano-3-ethoxy-, decyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-cyano-3-ethoxy-, decyl 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-, decyl ester?
The CAS number of 2-Propenoic acid, 2-cyano-3-ethoxy-, decyl ester is 89269-06-7.
What is the molecular formula of 2-Propenoic acid, 2-cyano-3-ethoxy-, decyl ester?
The molecular formula of 2-Propenoic acid, 2-cyano-3-ethoxy-, decyl ester is C16H27NO3.
What is the molecular weight of 2-Propenoic acid, 2-cyano-3-ethoxy-, decyl ester?
The molecular weight of 2-Propenoic acid, 2-cyano-3-ethoxy-, decyl ester is 281.20 g/mol.
Where can I buy 2-Propenoic acid, 2-cyano-3-ethoxy-, decyl ester?
You can request a quote for 2-Propenoic acid, 2-cyano-3-ethoxy-, decyl 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-, decyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-cyano-3-ethoxy-, decyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.