3-Butoxypropyl octadecanoate
TL;DR: 3-Butoxypropyl octadecanoate (CAS 67785-80-2) is a chemical compound with molecular formula C25H50O3 and molecular weight 398.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butoxypropyl octadecanoate
Also Known As: 3-butoxypropyl octadecanoate, (C3-H6-O)mult-C22-H44-O2, Polypropylene glycol, monobutyl ether, stearate, Polypropylene glycol monobutyl ether stearate, Poly[oxy(methyl-1,2-ethanediyl)], .alpha.-(1-oxooctadecyl)-.omega.-butoxy-
| Molecular Formula | C25H50O3 |
|---|---|
| Molecular Weight | 398.38 g/mol |
| LogP | 10.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 24 |
| Exact Mass | 398.376 |
| Heavy Atoms | 28 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 67785-80-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCCOCCCC |
| InChIKey | SSILFVKIBQQZFT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Butoxypropyl octadecanoate (CAS 67785-80-2), with molecular formula C25H50O3 and molecular weight 398.38 g/mol. IUPAC: 3-butoxypropyl octadecanoate.
Chemical Property Profile of 3-Butoxypropyl octadecanoate
Property Insights of 3-Butoxypropyl octadecanoate
The XLogP value of 10.0 indicates that 3-Butoxypropyl 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-Butoxypropyl octadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butoxypropyl 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-Butoxypropyl octadecanoate?
The CAS number of 3-Butoxypropyl octadecanoate is 67785-80-2.
What is the molecular formula of 3-Butoxypropyl octadecanoate?
The molecular formula of 3-Butoxypropyl octadecanoate is C25H50O3.
What is the molecular weight of 3-Butoxypropyl octadecanoate?
The molecular weight of 3-Butoxypropyl octadecanoate is 398.38 g/mol.
Where can I buy 3-Butoxypropyl octadecanoate?
You can request a quote for 3-Butoxypropyl octadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butoxypropyl octadecanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Butoxypropyl octadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.