Ethyl 2-cyano-5,9-dimethyldeca-2,4,8-trienoate
TL;DR: Ethyl 2-cyano-5,9-dimethyldeca-2,4,8-trienoate (CAS 69891-96-9) is a chemical compound with molecular formula C15H21NO2 and molecular weight 247.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-5,9-dimethyldeca-2,4,8-trienoate
Also Known As: ethyl 2-cyano-5,9-dimethyldeca-2,4,8-trienoate, ethyl (2Z,4Z)-2-cyano-5,9-dimethyldeca-2,4,8-trienoate
| Molecular Formula | C15H21NO2 |
|---|---|
| Molecular Weight | 247.16 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 247.15723 |
| Heavy Atoms | 18 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 69891-96-9 |
|---|---|
| SMILES | CCOC(=O)C(=CC=C(C)CCC=C(C)C)C#N |
| InChIKey | YJOXFSAPKHSAQY-UHFFFAOYSA-N |
Product Overview
Ethyl 2-cyano-5,9-dimethyldeca-2,4,8-trienoate (CAS 69891-96-9), with molecular formula C15H21NO2 and molecular weight 247.16 g/mol. IUPAC: ethyl 2-cyano-5,9-dimethyldeca-2,4,8-trienoate.
Chemical Property Profile of Ethyl 2-cyano-5,9-dimethyldeca-2,4,8-trienoate
Property Insights of Ethyl 2-cyano-5,9-dimethyldeca-2,4,8-trienoate
The XLogP value of 4.4 indicates that Ethyl 2-cyano-5,9-dimethyldeca-2,4,8-trienoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, Ethyl 2-cyano-5,9-dimethyldeca-2,4,8-trienoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-cyano-5,9-dimethyldeca-2,4,8-trienoate has 0 hydrogen bond donor(s) and 3 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 Ethyl 2-cyano-5,9-dimethyldeca-2,4,8-trienoate?
The CAS number of Ethyl 2-cyano-5,9-dimethyldeca-2,4,8-trienoate is 69891-96-9.
What is the molecular formula of Ethyl 2-cyano-5,9-dimethyldeca-2,4,8-trienoate?
The molecular formula of Ethyl 2-cyano-5,9-dimethyldeca-2,4,8-trienoate is C15H21NO2.
What is the molecular weight of Ethyl 2-cyano-5,9-dimethyldeca-2,4,8-trienoate?
The molecular weight of Ethyl 2-cyano-5,9-dimethyldeca-2,4,8-trienoate is 247.16 g/mol.
Where can I buy Ethyl 2-cyano-5,9-dimethyldeca-2,4,8-trienoate?
You can request a quote for Ethyl 2-cyano-5,9-dimethyldeca-2,4,8-trienoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-cyano-5,9-dimethyldeca-2,4,8-trienoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-5,9-dimethyldeca-2,4,8-trienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.