3-Methylpentanoic acid
TL;DR: 3-Methylpentanoic acid (CAS 105-43-1) is a chemical compound with molecular formula C6H12O2 and molecular weight 116.08373 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylpentanoic acid
Also Known As: 3-Methylvaleric acid, 3-METHYLPENTANOIC ACID, dl-3-methylvaleric acid, Pentanoic acid, 3-methyl-, 3-methyl-pentanoic acid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H12O2 |
| Molecular Weight | 116.08373 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.08373 Da |
| Heavy Atoms | 8 |
| Complexity | 78.0 |
| Boiling Point | 196.00 to 198.00 °C. @ 760.00 mm Hg |
| Density | 0.925-0.931 (20°/20°) |
| Refractive Index | 1.412-1.418 |
| SMILES | CCC(C)CC(=O)O |
| InChIKey | IGIDLTISMCAULB-UHFFFAOYSA-N |
Product Description
Applications: 3-Methylpentanoic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Methylpentanoic acid (CAS 105-43-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3-Methylpentanoic acid (CAS 105-43-1) is a heterocyclic building block with the molecular formula C6H12O2 and a molecular weight of 116.08 g/mol. Key physical properties include a density of 0.925-0.931 (20°/20°) g/cm³. It is also known as 3-Methylvaleric acid and 3-METHYLPENTANOIC ACID.
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 3-Methylpentanoic acid
Property Insights of 3-Methylpentanoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylpentanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Methylpentanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylpentanoic acid has 1 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 3-Methylpentanoic acid?
The CAS number of 3-Methylpentanoic acid is 105-43-1.
What is the molecular formula of 3-Methylpentanoic acid?
The molecular formula of 3-Methylpentanoic acid is C6H12O2.
What is the molecular weight of 3-Methylpentanoic acid?
The molecular weight of 3-Methylpentanoic acid is 116.08373 g/mol.
What are the applications of 3-Methylpentanoic acid?
3-Methylpentanoic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Methylpentanoic acid (CAS...
Where can I buy 3-Methylpentanoic acid?
You can request a quote for 3-Methylpentanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methylpentanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-Methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.