Ethyl 3-methylnon-2-enoate
TL;DR: Ethyl 3-methylnon-2-enoate (CAS 5350-11-8) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-methylnon-2-enoate
Also Known As: ethyl 3-methylnon-2-enoate, 1-(morpholin-4-ylmethyl)-3H-benzoimidazole-2-thione
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 5350-11-8 |
|---|---|
| SMILES | CCCCCCC(=CC(=O)OCC)C |
| InChIKey | KTRQMKFGPLUMQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-methylnon-2-enoate (CAS 5350-11-8), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: ethyl 3-methylnon-2-enoate.
Chemical Property Profile of Ethyl 3-methylnon-2-enoate
Property Insights of Ethyl 3-methylnon-2-enoate
The XLogP value of 4.5 indicates that Ethyl 3-methylnon-2-enoate 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 3-methylnon-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-methylnon-2-enoate has 0 hydrogen bond donor(s) and 2 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 3-methylnon-2-enoate?
The CAS number of Ethyl 3-methylnon-2-enoate is 5350-11-8.
What is the molecular formula of Ethyl 3-methylnon-2-enoate?
The molecular formula of Ethyl 3-methylnon-2-enoate is C12H22O2.
What is the molecular weight of Ethyl 3-methylnon-2-enoate?
The molecular weight of Ethyl 3-methylnon-2-enoate is 198.16 g/mol.
Where can I buy Ethyl 3-methylnon-2-enoate?
You can request a quote for Ethyl 3-methylnon-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-methylnon-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-methylnon-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.