1-Ethylundecyl octanoate
TL;DR: 1-Ethylundecyl octanoate (CAS 157529-95-8) is a chemical compound with molecular formula C7H10OS and molecular weight 142.04524 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-ethylsulfanyl-2-methylfuran
Also Known As: 1-Ethylundecyl octanoate, 3-(Ethylthio)-2-methylfuran, 3-ethylsulfanyl-2-methylfuran, 2-Methyl-3-(ethylthio)-furan, Furan, 3-(ethylthio)-2-methyl-
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H10OS |
| Molecular Weight | 142.04524 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 38.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 142.04524 Da |
| Heavy Atoms | 9 |
| Complexity | 85.0 |
| SMILES | CCSC1=C(OC=C1)C |
| InChIKey | PHCQIWHGOFNKSP-UHFFFAOYSA-N |
Chemical Property Profile of 1-Ethylundecyl octanoate
Property Insights of 1-Ethylundecyl octanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethylundecyl octanoate. With a topological polar surface area (TPSA) of 38.4 Ų, 1-Ethylundecyl octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethylundecyl octanoate 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
What is the CAS number of 1-Ethylundecyl octanoate?
The CAS number of 1-Ethylundecyl octanoate is 157529-95-8.
What is the molecular formula of 1-Ethylundecyl octanoate?
The molecular formula of 1-Ethylundecyl octanoate is C7H10OS.
What is the molecular weight of 1-Ethylundecyl octanoate?
The molecular weight of 1-Ethylundecyl octanoate is 142.04524 g/mol.
Where can I buy 1-Ethylundecyl octanoate?
You can request a quote for 1-Ethylundecyl octanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Ethylundecyl octanoate?
Yes, CoreyChem provides custom synthesis services for 1-Ethylundecyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.