Ethyl 4-fluoro-3,7,11-trimethyldodeca-2,10-dienoate
TL;DR: Ethyl 4-fluoro-3,7,11-trimethyldodeca-2,10-dienoate (CAS 3188-52-1) is a chemical compound with molecular formula C17H29FO2 and molecular weight 284.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-fluoro-3,7,11-trimethyldodeca-2,10-dienoate
Also Known As: NCIOpen2_006521, ethyl 4-fluoro-3,7,11-trimethyldodeca-2,10-dienoate, 2,10-Dodecadienoicacid, 4-fluoro-3,7,11-trimethyl-, ethyl ester
| Molecular Formula | C17H29FO2 |
|---|---|
| Molecular Weight | 284.22 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 284.21515 |
| Heavy Atoms | 20 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 3188-52-1 |
|---|---|
| SMILES | CCOC(=O)C=C(C)C(CCC(C)CCC=C(C)C)F |
| InChIKey | OTKIGOQOBINIIB-UHFFFAOYSA-N |
Product Overview
Ethyl 4-fluoro-3,7,11-trimethyldodeca-2,10-dienoate (CAS 3188-52-1), with molecular formula C17H29FO2 and molecular weight 284.22 g/mol. IUPAC: ethyl 4-fluoro-3,7,11-trimethyldodeca-2,10-dienoate.
Chemical Property Profile of Ethyl 4-fluoro-3,7,11-trimethyldodeca-2,10-dienoate
Property Insights of Ethyl 4-fluoro-3,7,11-trimethyldodeca-2,10-dienoate
The XLogP value of 5.8 indicates that Ethyl 4-fluoro-3,7,11-trimethyldodeca-2,10-dienoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 4-fluoro-3,7,11-trimethyldodeca-2,10-dienoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-fluoro-3,7,11-trimethyldodeca-2,10-dienoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-fluoro-3,7,11-trimethyldodeca-2,10-dienoate?
The CAS number of Ethyl 4-fluoro-3,7,11-trimethyldodeca-2,10-dienoate is 3188-52-1.
What is the molecular formula of Ethyl 4-fluoro-3,7,11-trimethyldodeca-2,10-dienoate?
The molecular formula of Ethyl 4-fluoro-3,7,11-trimethyldodeca-2,10-dienoate is C17H29FO2.
What is the molecular weight of Ethyl 4-fluoro-3,7,11-trimethyldodeca-2,10-dienoate?
The molecular weight of Ethyl 4-fluoro-3,7,11-trimethyldodeca-2,10-dienoate is 284.22 g/mol.
Where can I buy Ethyl 4-fluoro-3,7,11-trimethyldodeca-2,10-dienoate?
You can request a quote for Ethyl 4-fluoro-3,7,11-trimethyldodeca-2,10-dienoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-fluoro-3,7,11-trimethyldodeca-2,10-dienoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-fluoro-3,7,11-trimethyldodeca-2,10-dienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.