8-Fluoro-3-methyloctanoic acid
TL;DR: 8-Fluoro-3-methyloctanoic acid (CAS 462-12-4) is a chemical compound with molecular formula C9H17FO2 and molecular weight 176.12126 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-fluoro-3-methyloctanoic acid
Also Known As: 8-Fluoro-3-methyloctanoic acid, 8-Fluor-3-methyl-octansaeure, OCTANOIC ACID, 8-FLUORO-3-METHYL-, 4-02-00-01028 (Beilstein Handbook Reference), BRN 1762558
Technical Specifications
| Molecular Formula | C9H17FO2 |
| Molecular Weight | 176.12126 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 176.12126 Da |
| Heavy Atoms | 12 |
| Complexity | 126.0 |
| SMILES | CC(CCCCCF)CC(=O)O |
| InChIKey | CMZDDIWNZWUROZ-UHFFFAOYSA-N |
Product Description
Applications: 8-Fluoro-3-methyloctanoic acid is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 8-Fluoro-3-methyloctanoic acid (CAS 462-12-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
8-Fluoro-3-methyloctanoic acid (CAS 462-12-4) is a fine chemical with the molecular formula C9H17FO2 and a molecular weight of 176.12 g/mol. It is also known as 8-Fluoro-3-methyloctanoic acid and 8-Fluor-3-methyl-octansaeure.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 8-Fluoro-3-methyloctanoic acid
Property Insights of 8-Fluoro-3-methyloctanoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Fluoro-3-methyloctanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 8-Fluoro-3-methyloctanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Fluoro-3-methyloctanoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 8-Fluoro-3-methyloctanoic acid?
The CAS number of 8-Fluoro-3-methyloctanoic acid is 462-12-4.
What is the molecular formula of 8-Fluoro-3-methyloctanoic acid?
The molecular formula of 8-Fluoro-3-methyloctanoic acid is C9H17FO2.
What is the molecular weight of 8-Fluoro-3-methyloctanoic acid?
The molecular weight of 8-Fluoro-3-methyloctanoic acid is 176.12126 g/mol.
What are the applications of 8-Fluoro-3-methyloctanoic acid?
8-Fluoro-3-methyloctanoic acid is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 8-Fluoro-3-methyloctanoic acid (CAS 462-12-4) with custom synthesis available from milligram to multi-kilogram scale,...
Where can I buy 8-Fluoro-3-methyloctanoic acid?
You can request a quote for 8-Fluoro-3-methyloctanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-Fluoro-3-methyloctanoic acid?
Yes, CoreyChem provides custom synthesis services for 8-Fluoro-3-methyloctanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.