Isovaleric Acid
TL;DR: Isovaleric Acid (CAS 503-74-2) is a chemical compound with molecular formula C5H10O2 and molecular weight 102.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
异戊酸
3-methylbutanoic acid
Also Known As: ISOVALERIC ACID, 3-Methylbutanoic acid, Isopentanoic acid, Delphinic acid, Isopropylacetic acid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H10O2 |
| Molecular Weight | 102.06808 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 102.06808 Da |
| Heavy Atoms | 7 |
| Complexity | 66.0 |
| Melting Point | -29.3 |
| Boiling Point | 176.5 |
| Density | 0.931 @ 20 °C/4 °C |
| Flash Point | 70 °C |
| Vapor Pressure | 0.44 [mmHg] |
| Refractive Index | Index of refraction = 1.4033 at 20 °C/D |
| Solubility | 40700 |
| SMILES | CC(C)CC(=O)O |
| InChIKey | GWYFCOCPABKNJV-UHFFFAOYSA-N |
Product Description
Applications: Isovaleric Acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isovaleric Acid (CAS 503-74-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Isovaleric Acid (CAS 503-74-2) is a pharmaceutical intermediate with the molecular formula C5H10O2 and a molecular weight of 102.07 g/mol. Key physical properties include a density of 0.931 @ 20 °C/4 °C g/cm³, a solubility: 40700. It is also known as ISOVALERIC ACID and 3-Methylbutanoic 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 Isovaleric Acid
Property Insights of Isovaleric Acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isovaleric Acid. With a topological polar surface area (TPSA) of 37.3 Ų, Isovaleric Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isovaleric 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 Isovaleric Acid?
The CAS number of Isovaleric Acid is 503-74-2.
What is the molecular formula of Isovaleric Acid?
The molecular formula of Isovaleric Acid is C5H10O2.
What is the molecular weight of Isovaleric Acid?
The molecular weight of Isovaleric Acid is 102.06808 g/mol.
What are the applications of Isovaleric Acid?
Isovaleric Acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isovaleric Acid (CAS 503-74-2) with...
Where can I buy Isovaleric Acid?
You can request a quote for Isovaleric Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isovaleric Acid?
Yes, CoreyChem provides custom synthesis services for Isovaleric Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.