Isovalerate
TL;DR: Isovalerate (CAS 5711-68-2) is a chemical compound with molecular formula C5H9O2- and molecular weight 101.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutanoate
Also Known As: isovalerate, 3-methylbutanoate, isopropylacetate, 3-Methylbutyrate, delphinate
| Molecular Formula | C5H9O2- |
|---|---|
| Molecular Weight | 101.06 g/mol |
| LogP | -0.2176 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 101.06026 |
| Heavy Atoms | 7 |
| Complexity | 66.48041 |
Chemical Identifiers
| CAS Number | 5711-68-2 |
|---|---|
| SMILES | CC(C)CC(=O)[O-] |
Product Overview
Isovalerate (CAS 5711-68-2), with molecular formula C5H9O2- and molecular weight 101.06 g/mol. IUPAC: 3-methylbutanoate.
Chemical Property Profile of Isovalerate
Property Insights of Isovalerate
The XLogP value of -0.2176 indicates that Isovalerate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.13 Ų, Isovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isovalerate has 0 hydrogen bond donor(s) and 2 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 Isovalerate?
The CAS number of Isovalerate is 5711-68-2.
What is the molecular formula of Isovalerate?
The molecular formula of Isovalerate is C5H9O2-.
What is the molecular weight of Isovalerate?
The molecular weight of Isovalerate is 101.06 g/mol.
Where can I buy Isovalerate?
You can request a quote for Isovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isovalerate?
Yes, KEHONG BIO provides custom synthesis services for Isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.