all-trans-Ethyl-beta-ionylideacetate
TL;DR: all-trans-Ethyl-beta-ionylideacetate (CAS 5452-61-9) is a chemical compound with molecular formula C17H26O2 and molecular weight 262.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienoate
Also Known As: all-trans-ethyl--ionylideacetate, all-trans-Ethyl-beta-ionylideacetate, ALL-TRANS-ETHYL-?-IONYLIDEACETATE, ethyl 3-methyl-5-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-2,4-dienoate, ethyl 3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienoate
| Molecular Formula | C17H26O2 |
|---|---|
| Molecular Weight | 262.19 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 262.19327 |
| Heavy Atoms | 19 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 5452-61-9 |
|---|---|
| SMILES | CCOC(=O)C=C(C)C=CC1=C(CCCC1(C)C)C |
| InChIKey | DNGMNNGDXRUXFV-UHFFFAOYSA-N |
Product Overview
all-trans-Ethyl-beta-ionylideacetate (CAS 5452-61-9), with molecular formula C17H26O2 and molecular weight 262.19 g/mol. IUPAC: ethyl 3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienoate.
Chemical Property Profile of all-trans-Ethyl-beta-ionylideacetate
Property Insights of all-trans-Ethyl-beta-ionylideacetate
The XLogP value of 5.1 indicates that all-trans-Ethyl-beta-ionylideacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, all-trans-Ethyl-beta-ionylideacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, all-trans-Ethyl-beta-ionylideacetate 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 all-trans-Ethyl-beta-ionylideacetate?
The CAS number of all-trans-Ethyl-beta-ionylideacetate is 5452-61-9.
What is the molecular formula of all-trans-Ethyl-beta-ionylideacetate?
The molecular formula of all-trans-Ethyl-beta-ionylideacetate is C17H26O2.
What is the molecular weight of all-trans-Ethyl-beta-ionylideacetate?
The molecular weight of all-trans-Ethyl-beta-ionylideacetate is 262.19 g/mol.
Where can I buy all-trans-Ethyl-beta-ionylideacetate?
You can request a quote for all-trans-Ethyl-beta-ionylideacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for all-trans-Ethyl-beta-ionylideacetate?
Yes, KEHONG BIO provides custom synthesis services for all-trans-Ethyl-beta-ionylideacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.