Octanoic acid, 8-fluoro-, (2-fluoroethyl) ester
TL;DR: Octanoic acid, 8-fluoro-, (2-fluoroethyl) ester (CAS 332-94-5) is a chemical compound with molecular formula C10H18F2O2 and molecular weight 208.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoroethyl 8-fluorooctanoate
Also Known As: 2-fluoroethyl 8-fluorooctanoate, 2'-Fluoroethyl 8-fluorooctanoate, 2'-Fluoroethyl omega-fluorooctanoate, 8-Fluorooctanoic acid 2-fluoroethyl ester, OCTANOIC ACID, 8-FLUORO-, (2-FLUOROETHYL) ESTER
| Molecular Formula | C10H18F2O2 |
|---|---|
| Molecular Weight | 208.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 208.12749 |
| Heavy Atoms | 14 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 332-94-5 |
|---|---|
| SMILES | C(CCCC(=O)OCCF)CCCF |
| InChIKey | GLVASOHGDUAMMM-UHFFFAOYSA-N |
Product Overview
Octanoic acid, 8-fluoro-, (2-fluoroethyl) ester (CAS 332-94-5), with molecular formula C10H18F2O2 and molecular weight 208.13 g/mol. IUPAC: 2-fluoroethyl 8-fluorooctanoate.
Chemical Property Profile of Octanoic acid, 8-fluoro-, (2-fluoroethyl) ester
Property Insights of Octanoic acid, 8-fluoro-, (2-fluoroethyl) ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octanoic acid, 8-fluoro-, (2-fluoroethyl) ester. With a topological polar surface area (TPSA) of 26.3 Ų, Octanoic acid, 8-fluoro-, (2-fluoroethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octanoic acid, 8-fluoro-, (2-fluoroethyl) ester has 0 hydrogen bond donor(s) and 4 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 Octanoic acid, 8-fluoro-, (2-fluoroethyl) ester?
The CAS number of Octanoic acid, 8-fluoro-, (2-fluoroethyl) ester is 332-94-5.
What is the molecular formula of Octanoic acid, 8-fluoro-, (2-fluoroethyl) ester?
The molecular formula of Octanoic acid, 8-fluoro-, (2-fluoroethyl) ester is C10H18F2O2.
What is the molecular weight of Octanoic acid, 8-fluoro-, (2-fluoroethyl) ester?
The molecular weight of Octanoic acid, 8-fluoro-, (2-fluoroethyl) ester is 208.13 g/mol.
Where can I buy Octanoic acid, 8-fluoro-, (2-fluoroethyl) ester?
You can request a quote for Octanoic acid, 8-fluoro-, (2-fluoroethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octanoic acid, 8-fluoro-, (2-fluoroethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Octanoic acid, 8-fluoro-, (2-fluoroethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.