5-Acetoxy-4-methylpentanoic acid
TL;DR: 5-Acetoxy-4-methylpentanoic acid (CAS 7478-58-2) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyloxy-4-methylpentanoic acid
Also Known As: 5-acetoxy-4-methylpentanoic acid, 5-ACETOXY ISOCAPROIC ACID, 5-acetyloxy-4-methylpentanoic acid, 5-acetyloxy-4-methyl-pentanoic acid, (S)-5-Acetoxy-4-methylpentanoicAcid
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 7478-58-2 |
|---|---|
| SMILES | CC(CCC(=O)O)COC(=O)C |
| InChIKey | OCLVCORVKBNFRN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Acetoxy-4-methylpentanoic acid (CAS 7478-58-2), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: 5-acetyloxy-4-methylpentanoic acid.
Chemical Property Profile of 5-Acetoxy-4-methylpentanoic acid
Property Insights of 5-Acetoxy-4-methylpentanoic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetoxy-4-methylpentanoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetoxy-4-methylpentanoic acid. Following Lipinski's Rule of Five, 5-Acetoxy-4-methylpentanoic acid has 1 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 5-Acetoxy-4-methylpentanoic acid?
The CAS number of 5-Acetoxy-4-methylpentanoic acid is 7478-58-2.
What is the molecular formula of 5-Acetoxy-4-methylpentanoic acid?
The molecular formula of 5-Acetoxy-4-methylpentanoic acid is C8H14O4.
What is the molecular weight of 5-Acetoxy-4-methylpentanoic acid?
The molecular weight of 5-Acetoxy-4-methylpentanoic acid is 174.09 g/mol.
Where can I buy 5-Acetoxy-4-methylpentanoic acid?
You can request a quote for 5-Acetoxy-4-methylpentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetoxy-4-methylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetoxy-4-methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.