Propyl octanoate
TL;DR: Propyl octanoate (CAS 624-13-5) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl octanoate
Also Known As: Propyl octanoate, Propyl caprylate, Propyl n-Octanoate, Octanoic acid, propyl ester, n-propyl octanoate
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 624-13-5 |
|---|---|
| SMILES | CCCCCCCC(=O)OCCC |
| InChIKey | IDHBLVYDNJDWNO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl octanoate (CAS 624-13-5), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: propyl octanoate.
Chemical Property Profile of Propyl octanoate
Property Insights of Propyl octanoate
The XLogP value of 4.0 indicates that Propyl octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Propyl octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl octanoate 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 octanoate?
The CAS number of Propyl octanoate is 624-13-5.
What is the molecular formula of Propyl octanoate?
The molecular formula of Propyl octanoate is C11H22O2.
What is the molecular weight of Propyl octanoate?
The molecular weight of Propyl octanoate is 186.16 g/mol.
Where can I buy Propyl octanoate?
You can request a quote for Propyl octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl octanoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.