Propyl isovalerate
TL;DR: Propyl isovalerate (CAS 557-00-6) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 3-methylbutanoate
Also Known As: PROPYL ISOVALERATE, Propyl 3-methylbutanoate, Propyl isopentanoate, Propyl 3-methylbutyrate, Propyl isovalerianate
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 97.0 |
| Boiling Point | 156.00 to 157.00 °C. @ 760.00 mm Hg |
| Density | 0.860 - 0.866 |
| Solubility | soluble in organic solvents, alcohol; insoluble in water |
| Refractive Index | 1.400 - 1.405 |
Chemical Identifiers
| CAS Number | 557-00-6 |
|---|---|
| SMILES | CCCOC(=O)CC(C)C |
| InChIKey | LSJMDWFAADPNAX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl isovalerate (CAS 557-00-6), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: propyl 3-methylbutanoate.
Chemical Property Profile of Propyl isovalerate
Property Insights of Propyl isovalerate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl isovalerate. With a topological polar surface area (TPSA) of 26.3 Ų, Propyl isovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 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 Propyl isovalerate?
The CAS number of Propyl isovalerate is 557-00-6.
What is the molecular formula of Propyl isovalerate?
The molecular formula of Propyl isovalerate is C8H16O2.
What is the molecular weight of Propyl isovalerate?
The molecular weight of Propyl isovalerate is 144.12 g/mol.
Where can I buy Propyl isovalerate?
You can request a quote for Propyl isovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl isovalerate?
Yes, KEHONG BIO provides custom synthesis services for Propyl isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.