1,3-Propanediol dicaprylate
TL;DR: 1,3-Propanediol dicaprylate (CAS 565190-67-2) is a chemical compound with molecular formula C19H36O4 and molecular weight 328.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-octanoyloxypropyl octanoate
Also Known As: propanediol dicaprylate, 1,3-propanediol dicaprylate, DUB ZENOAT, propane-1,3-diyl dioctanoate, 3-octanoyloxypropyl octanoate
| Molecular Formula | C19H36O4 |
|---|---|
| Molecular Weight | 328.26 g/mol |
| LogP | 5.1839 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 328.26135 |
| Heavy Atoms | 23 |
| Complexity | 261.0942 |
Chemical Identifiers
| CAS Number | 565190-67-2 |
|---|---|
| SMILES | CCCCCCCC(=O)OCCCOC(=O)CCCCCCC |
Product Overview
1,3-Propanediol dicaprylate (CAS 565190-67-2), with molecular formula C19H36O4 and molecular weight 328.26 g/mol. IUPAC: 3-octanoyloxypropyl octanoate.
Chemical Property Profile of 1,3-Propanediol dicaprylate
Property Insights of 1,3-Propanediol dicaprylate
The XLogP value of 5.1839 indicates that 1,3-Propanediol dicaprylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3-Propanediol dicaprylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol dicaprylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Propanediol dicaprylate?
The CAS number of 1,3-Propanediol dicaprylate is 565190-67-2.
What is the molecular formula of 1,3-Propanediol dicaprylate?
The molecular formula of 1,3-Propanediol dicaprylate is C19H36O4.
What is the molecular weight of 1,3-Propanediol dicaprylate?
The molecular weight of 1,3-Propanediol dicaprylate is 328.26 g/mol.
Where can I buy 1,3-Propanediol dicaprylate?
You can request a quote for 1,3-Propanediol dicaprylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediol dicaprylate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol dicaprylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.