1,3-Propanediol distearate
TL;DR: 1,3-Propanediol distearate (CAS 26403-62-3) is a chemical compound with molecular formula C39H76O4 and molecular weight 608.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-octadecanoyloxypropyl octadecanoate
Also Known As: Stearic acid, trimethylene ester, 1,3-propanediol distearate, 3-octadecanoyloxypropyl octadecanoate, 1,3-propane diol distearate, 1,3-propanediol di-stearate
| Molecular Formula | C39H76O4 |
|---|---|
| Molecular Weight | 608.57 g/mol |
| LogP | 17.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 38 |
| Exact Mass | 608.57434 |
| Heavy Atoms | 43 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 26403-62-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCCOC(=O)CCCCCCCCCCCCCCCCC |
| InChIKey | UFASAALQMYZBEM-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol distearate (CAS 26403-62-3), with molecular formula C39H76O4 and molecular weight 608.57 g/mol. IUPAC: 3-octadecanoyloxypropyl octadecanoate.
Chemical Property Profile of 1,3-Propanediol distearate
Property Insights of 1,3-Propanediol distearate
The XLogP value of 17.2 indicates that 1,3-Propanediol distearate 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 distearate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol distearate 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 distearate?
The CAS number of 1,3-Propanediol distearate is 26403-62-3.
What is the molecular formula of 1,3-Propanediol distearate?
The molecular formula of 1,3-Propanediol distearate is C39H76O4.
What is the molecular weight of 1,3-Propanediol distearate?
The molecular weight of 1,3-Propanediol distearate is 608.57 g/mol.
Where can I buy 1,3-Propanediol distearate?
You can request a quote for 1,3-Propanediol distearate 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 distearate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol distearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.