3,7-Dimethyl-2,6-octadien-1-yl 5,9,13-trimethyl-4,8,12-tetradecatrienoate
TL;DR: 3,7-Dimethyl-2,6-octadien-1-yl 5,9,13-trimethyl-4,8,12-tetradecatrienoate (CAS 16898-88-7) is a chemical compound with molecular formula C27H44O2 and molecular weight 400.33414 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,7-dimethylocta-2,6-dienyl 5,9,13-trimethyltetradeca-4,8,12-trienoate
Also Known As: gefarnate, 3,7-Dimethylocta-2,6-dienyl 5,9,13-trimethyltetradeca-4,8,12-enoate, 3,7-dimethylocta-2,6-dien-1-yl 5,9,13-trimethyltetradeca-4,8,12-trienoate, 3,7-Dimethyl-2,6-octadien-1-yl 5,9,13-trimethyl-4,8,12-tetradecatrienoate, 3,7-dimethylocta-2,6-dienyl 5,9,13-trimethyltetradeca-4,8,12-trienoate
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C27H44O2 |
| Molecular Weight | 400.33414 g/mol |
| XLogP | 9.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 15 |
| Exact Mass | 400.33414 Da |
| Heavy Atoms | 29 |
| Complexity | 619.0 |
| SMILES | CC(=CCCC(=CCCC(=CCCC(=O)OCC=C(C)CCC=C(C)C)C)C)C |
| InChIKey | ZPACYDRSPFRDHO-UHFFFAOYSA-N |
Product Description
Applications: 3,7-Dimethyl-2,6-octadien-1-yl 5,9,13-trimethyl-4,8,12-tetradecatrienoate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, 3,7-Dimethyl-2,6-octadien-1-yl 5,9,13-trimethyl-4,8,12-tetradecatrienoate (CAS 16898-88-7) has the molecular formula C27H44O2 and a molecular weight of 400.33 g/mol. Synonyms include gefarnate and KS-00000GBW.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3,7-Dimethyl-2,6-octadien-1-yl 5,9,13-trimethyl-4,8,12-tetradecatrienoate
Property Insights of 3,7-Dimethyl-2,6-octadien-1-yl 5,9,13-trimethyl-4,8,12-tetradecatrienoate
The XLogP value of 9.1 indicates that 3,7-Dimethyl-2,6-octadien-1-yl 5,9,13-trimethyl-4,8,12-tetradecatrienoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3,7-Dimethyl-2,6-octadien-1-yl 5,9,13-trimethyl-4,8,12-tetradecatrienoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethyl-2,6-octadien-1-yl 5,9,13-trimethyl-4,8,12-tetradecatrienoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3,7-Dimethyl-2,6-octadien-1-yl 5,9,13-trimethyl-4,8,12-tetradecatrienoate?
The CAS number of 3,7-Dimethyl-2,6-octadien-1-yl 5,9,13-trimethyl-4,8,12-tetradecatrienoate is 16898-88-7.
What is the molecular formula of 3,7-Dimethyl-2,6-octadien-1-yl 5,9,13-trimethyl-4,8,12-tetradecatrienoate?
The molecular formula of 3,7-Dimethyl-2,6-octadien-1-yl 5,9,13-trimethyl-4,8,12-tetradecatrienoate is C27H44O2.
What is the molecular weight of 3,7-Dimethyl-2,6-octadien-1-yl 5,9,13-trimethyl-4,8,12-tetradecatrienoate?
The molecular weight of 3,7-Dimethyl-2,6-octadien-1-yl 5,9,13-trimethyl-4,8,12-tetradecatrienoate is 400.33414 g/mol.
What are the applications of 3,7-Dimethyl-2,6-octadien-1-yl 5,9,13-trimethyl-4,8,12-tetradecatrienoate?
3,7-Dimethyl-2,6-octadien-1-yl 5,9,13-trimethyl-4,8,12-tetradecatrienoate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis....
Where can I buy 3,7-Dimethyl-2,6-octadien-1-yl 5,9,13-trimethyl-4,8,12-tetradecatrienoate?
You can request a quote for 3,7-Dimethyl-2,6-octadien-1-yl 5,9,13-trimethyl-4,8,12-tetradecatrienoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,7-Dimethyl-2,6-octadien-1-yl 5,9,13-trimethyl-4,8,12-tetradecatrienoate?
Yes, CoreyChem provides custom synthesis services for 3,7-Dimethyl-2,6-octadien-1-yl 5,9,13-trimethyl-4,8,12-tetradecatrienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.