3,7-二甲基-2,6-辛二烯-1-基 5,9,13-三甲基-4,8,12-十四碳三烯酸酯
TL;DR: 3,7-二甲基-2,6-辛二烯-1-基 5,9,13-三甲基-4,8,12-十四碳三烯酸酯 (CAS 16898-88-7) is a chemical compound with molecular formula C27H44O2 and molecular weight 400.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-二甲基-2,6-辛二烯-1-基 5,9,13-三甲基-4,8,12-十四碳三烯酸酯
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
| Molecular Formula | C27H44O2 |
|---|---|
| Molecular Weight | 400.33 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 15 |
| Exact Mass | 400.33414 |
| Heavy Atoms | 29 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 16898-88-7 |
|---|---|
| SMILES | CC(=CCCC(=CCCC(=CCCC(=O)OCC=C(C)CCC=C(C)C)C)C)C |
| InChIKey | ZPACYDRSPFRDHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,7-二甲基-2,6-辛二烯-1-基 5,9,13-三甲基-4,8,12-十四碳三烯酸酯 (CAS 16898-88-7), with molecular formula C27H44O2 and molecular weight 400.33 g/mol. IUPAC: 3,7-dimethylocta-2,6-dienyl 5,9,13-trimethyltetradeca-4,8,12-trienoate.
Chemical Property Profile of 3,7-二甲基-2,6-辛二烯-1-基 5,9,13-三甲基-4,8,12-十四碳三烯酸酯
Property Insights of 3,7-二甲基-2,6-辛二烯-1-基 5,9,13-三甲基-4,8,12-十四碳三烯酸酯
The XLogP value of 9.1 indicates that 3,7-二甲基-2,6-辛二烯-1-基 5,9,13-三甲基-4,8,12-十四碳三烯酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3,7-二甲基-2,6-辛二烯-1-基 5,9,13-三甲基-4,8,12-十四碳三烯酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-二甲基-2,6-辛二烯-1-基 5,9,13-三甲基-4,8,12-十四碳三烯酸酯 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,7-二甲基-2,6-辛二烯-1-基 5,9,13-三甲基-4,8,12-十四碳三烯酸酯?
The CAS number of 3,7-二甲基-2,6-辛二烯-1-基 5,9,13-三甲基-4,8,12-十四碳三烯酸酯 is 16898-88-7.
What is the molecular formula of 3,7-二甲基-2,6-辛二烯-1-基 5,9,13-三甲基-4,8,12-十四碳三烯酸酯?
The molecular formula of 3,7-二甲基-2,6-辛二烯-1-基 5,9,13-三甲基-4,8,12-十四碳三烯酸酯 is C27H44O2.
What is the molecular weight of 3,7-二甲基-2,6-辛二烯-1-基 5,9,13-三甲基-4,8,12-十四碳三烯酸酯?
The molecular weight of 3,7-二甲基-2,6-辛二烯-1-基 5,9,13-三甲基-4,8,12-十四碳三烯酸酯 is 400.33 g/mol.
Where can I buy 3,7-二甲基-2,6-辛二烯-1-基 5,9,13-三甲基-4,8,12-十四碳三烯酸酯?
You can request a quote for 3,7-二甲基-2,6-辛二烯-1-基 5,9,13-三甲基-4,8,12-十四碳三烯酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-二甲基-2,6-辛二烯-1-基 5,9,13-三甲基-4,8,12-十四碳三烯酸酯?
Yes, KEHONG BIO provides custom synthesis services for 3,7-二甲基-2,6-辛二烯-1-基 5,9,13-三甲基-4,8,12-十四碳三烯酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.