Propanoic acid, (1-ethylpropyl) ester
TL;DR: Propanoic acid, (1-ethylpropyl) ester (CAS 6328-56-9) 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.
pentan-3-yl propanoate
Also Known As: 3-Pentanol, propanoate, sec-amyl propionate, pentan-3-yl propanoate, ethylpropyl propionate, sec.butylphenyltin oxide
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 2.4 |
| 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 | 95.0 |
Chemical Identifiers
| CAS Number | 6328-56-9 |
|---|---|
| SMILES | CCC(CC)OC(=O)CC |
| InChIKey | VQSLYBNAHOGNCE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid, (1-ethylpropyl) ester (CAS 6328-56-9), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: pentan-3-yl propanoate.
Chemical Property Profile of Propanoic acid, (1-ethylpropyl) ester
Property Insights of Propanoic acid, (1-ethylpropyl) ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, (1-ethylpropyl) ester. With a topological polar surface area (TPSA) of 26.3 Ų, Propanoic acid, (1-ethylpropyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, (1-ethylpropyl) ester 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 Propanoic acid, (1-ethylpropyl) ester?
The CAS number of Propanoic acid, (1-ethylpropyl) ester is 6328-56-9.
What is the molecular formula of Propanoic acid, (1-ethylpropyl) ester?
The molecular formula of Propanoic acid, (1-ethylpropyl) ester is C8H16O2.
What is the molecular weight of Propanoic acid, (1-ethylpropyl) ester?
The molecular weight of Propanoic acid, (1-ethylpropyl) ester is 144.12 g/mol.
Where can I buy Propanoic acid, (1-ethylpropyl) ester?
You can request a quote for Propanoic acid, (1-ethylpropyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, (1-ethylpropyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, (1-ethylpropyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.