Isobutyl valerate
TL;DR: Isobutyl valerate (CAS 10588-10-0) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl pentanoate
Also Known As: Isobutyl valerate, Isobutyl pentanoate, 2-methylpropyl pentanoate, Isobutyl valerinate, Isobutylvalerat
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 10588-10-0 |
|---|---|
| SMILES | CCCCC(=O)OCC(C)C |
| InChIKey | ADNADZOSMJDVIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutyl valerate (CAS 10588-10-0), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: 2-methylpropyl pentanoate.
Chemical Property Profile of Isobutyl valerate
Property Insights of Isobutyl valerate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl valerate. With a topological polar surface area (TPSA) of 26.3 Ų, Isobutyl valerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl valerate 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 Isobutyl valerate?
The CAS number of Isobutyl valerate is 10588-10-0.
What is the molecular formula of Isobutyl valerate?
The molecular formula of Isobutyl valerate is C9H18O2.
What is the molecular weight of Isobutyl valerate?
The molecular weight of Isobutyl valerate is 158.13 g/mol.
Where can I buy Isobutyl valerate?
You can request a quote for Isobutyl valerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl valerate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl valerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.