3-Octadecoxypropyl octadecanoate
TL;DR: 3-Octadecoxypropyl octadecanoate (CAS 17367-40-7) is a chemical compound with molecular formula C39H78O3 and molecular weight 594.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-octadecoxypropyl octadecanoate
Also Known As: 3-octadecoxypropyl octadecanoate, Octadecanoic acid 3-octadecyloxypropyl ester, 3-(Octadecyloxy)propyl stearate #, 3-(octadecyloxy)propyl octadecanoate, Stearic acid, 3-(octadecyloxy)propyl ester
| Molecular Formula | C39H78O3 |
|---|---|
| Molecular Weight | 594.60 g/mol |
| LogP | 17.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 38 |
| Exact Mass | 594.5951 |
| Heavy Atoms | 42 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 17367-40-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOCCCOC(=O)CCCCCCCCCCCCCCCCC |
| InChIKey | UEPBHZUOSOIJFU-UHFFFAOYSA-N |
Product Overview
3-Octadecoxypropyl octadecanoate (CAS 17367-40-7), with molecular formula C39H78O3 and molecular weight 594.60 g/mol. IUPAC: 3-octadecoxypropyl octadecanoate.
Chemical Property Profile of 3-Octadecoxypropyl octadecanoate
Property Insights of 3-Octadecoxypropyl octadecanoate
The XLogP value of 17.6 indicates that 3-Octadecoxypropyl octadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 3-Octadecoxypropyl octadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Octadecoxypropyl octadecanoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Octadecoxypropyl octadecanoate?
The CAS number of 3-Octadecoxypropyl octadecanoate is 17367-40-7.
What is the molecular formula of 3-Octadecoxypropyl octadecanoate?
The molecular formula of 3-Octadecoxypropyl octadecanoate is C39H78O3.
What is the molecular weight of 3-Octadecoxypropyl octadecanoate?
The molecular weight of 3-Octadecoxypropyl octadecanoate is 594.60 g/mol.
Where can I buy 3-Octadecoxypropyl octadecanoate?
You can request a quote for 3-Octadecoxypropyl octadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Octadecoxypropyl octadecanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Octadecoxypropyl octadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.