5-Octenoic acid, 8-(1,3-benzodioxol-5-yl)-2-cyano-5-ethyl-, ethyl ester
TL;DR: 5-Octenoic acid, 8-(1,3-benzodioxol-5-yl)-2-cyano-5-ethyl-, ethyl ester (CAS 62325-71-7) is a chemical compound with molecular formula C20H25NO4 and molecular weight 343.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 8-(1,3-benzodioxol-5-yl)-2-cyano-5-ethyloct-5-enoate
Also Known As: 5-Octenoic acid, 8-(1,3-benzodioxol-5-yl)-2-cyano-5-ethyl-, ethyl ester, ethyl 8-(1,3-benzodioxol-5-yl)-2-cyano-5-ethyloct-5-enoate, 5-Octenoic acid,8-(1,3-benzodioxol-5-yl)-2-cyano-5-ethyl-,ethyl ester, ETHYL 8-(2H-1,3-BENZODIOXOL-5-YL)-2-CYANO-5-ETHYLOCT-5-ENOATE
| Molecular Formula | C20H25NO4 |
|---|---|
| Molecular Weight | 343.18 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 68.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 343.17834 |
| Heavy Atoms | 25 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 62325-71-7 |
|---|---|
| SMILES | CCC(=CCCC1=CC2=C(C=C1)OCO2)CCC(C#N)C(=O)OCC |
| InChIKey | KUXOGRUEJBTLRC-UHFFFAOYSA-N |
Product Overview
5-Octenoic acid, 8-(1,3-benzodioxol-5-yl)-2-cyano-5-ethyl-, ethyl ester (CAS 62325-71-7), with molecular formula C20H25NO4 and molecular weight 343.18 g/mol. IUPAC: ethyl 8-(1,3-benzodioxol-5-yl)-2-cyano-5-ethyloct-5-enoate.
Chemical Property Profile of 5-Octenoic acid, 8-(1,3-benzodioxol-5-yl)-2-cyano-5-ethyl-, ethyl ester
Property Insights of 5-Octenoic acid, 8-(1,3-benzodioxol-5-yl)-2-cyano-5-ethyl-, ethyl ester
The XLogP value of 4.8 indicates that 5-Octenoic acid, 8-(1,3-benzodioxol-5-yl)-2-cyano-5-ethyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Octenoic acid, 8-(1,3-benzodioxol-5-yl)-2-cyano-5-ethyl-, ethyl ester. Following Lipinski's Rule of Five, 5-Octenoic acid, 8-(1,3-benzodioxol-5-yl)-2-cyano-5-ethyl-, ethyl ester has 0 hydrogen bond donor(s) and 5 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 5-Octenoic acid, 8-(1,3-benzodioxol-5-yl)-2-cyano-5-ethyl-, ethyl ester?
The CAS number of 5-Octenoic acid, 8-(1,3-benzodioxol-5-yl)-2-cyano-5-ethyl-, ethyl ester is 62325-71-7.
What is the molecular formula of 5-Octenoic acid, 8-(1,3-benzodioxol-5-yl)-2-cyano-5-ethyl-, ethyl ester?
The molecular formula of 5-Octenoic acid, 8-(1,3-benzodioxol-5-yl)-2-cyano-5-ethyl-, ethyl ester is C20H25NO4.
What is the molecular weight of 5-Octenoic acid, 8-(1,3-benzodioxol-5-yl)-2-cyano-5-ethyl-, ethyl ester?
The molecular weight of 5-Octenoic acid, 8-(1,3-benzodioxol-5-yl)-2-cyano-5-ethyl-, ethyl ester is 343.18 g/mol.
Where can I buy 5-Octenoic acid, 8-(1,3-benzodioxol-5-yl)-2-cyano-5-ethyl-, ethyl ester?
You can request a quote for 5-Octenoic acid, 8-(1,3-benzodioxol-5-yl)-2-cyano-5-ethyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Octenoic acid, 8-(1,3-benzodioxol-5-yl)-2-cyano-5-ethyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Octenoic acid, 8-(1,3-benzodioxol-5-yl)-2-cyano-5-ethyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.