![[2-(Hydroxymethyl)-2-(octadec-9-enoyloxymethyl)butyl] octadec-9-enoate structure](/static/products/2511/25111-05-1.webp)
[2-(Hydroxymethyl)-2-(octadec-9-enoyloxymethyl)butyl] octadec-9-enoate
TL;DR: [2-(Hydroxymethyl)-2-(octadec-9-enoyloxymethyl)butyl] octadec-9-enoate (CAS 25111-05-1) is a chemical compound with molecular formula C42H78O5 and molecular weight 662.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(hydroxymethyl)-2-(octadec-9-enoyloxymethyl)butyl] octadec-9-enoate
Also Known As: 2-Ethyl-2-(hydroxymethyl)-1,3-propanediyl dioleate, 9-Octadecenoic acid (9Z)-, 2-ethyl-2-(hydroxymethyl)-1,3-propanediyl ester
| Molecular Formula | C42H78O5 |
|---|---|
| Molecular Weight | 662.58 g/mol |
| LogP | 15.3 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 38 |
| Exact Mass | 662.5849 |
| Heavy Atoms | 47 |
| Complexity | 687.0 |
Chemical Identifiers
| CAS Number | 25111-05-1 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCCCCCC=CCCCCCCCC |
| InChIKey | NKSZWBYBTXAALC-UHFFFAOYSA-N |
Product Overview
[2-(Hydroxymethyl)-2-(octadec-9-enoyloxymethyl)butyl] octadec-9-enoate (CAS 25111-05-1), with molecular formula C42H78O5 and molecular weight 662.58 g/mol. IUPAC: [2-(hydroxymethyl)-2-(octadec-9-enoyloxymethyl)butyl] octadec-9-enoate.
Chemical Property Profile of [2-(Hydroxymethyl)-2-(octadec-9-enoyloxymethyl)butyl] octadec-9-enoate
Property Insights of [2-(Hydroxymethyl)-2-(octadec-9-enoyloxymethyl)butyl] octadec-9-enoate
The XLogP value of 15.3 indicates that [2-(Hydroxymethyl)-2-(octadec-9-enoyloxymethyl)butyl] octadec-9-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(Hydroxymethyl)-2-(octadec-9-enoyloxymethyl)butyl] octadec-9-enoate. Following Lipinski's Rule of Five, [2-(Hydroxymethyl)-2-(octadec-9-enoyloxymethyl)butyl] octadec-9-enoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [2-(Hydroxymethyl)-2-(octadec-9-enoyloxymethyl)butyl] octadec-9-enoate?
The CAS number of [2-(Hydroxymethyl)-2-(octadec-9-enoyloxymethyl)butyl] octadec-9-enoate is 25111-05-1.
What is the molecular formula of [2-(Hydroxymethyl)-2-(octadec-9-enoyloxymethyl)butyl] octadec-9-enoate?
The molecular formula of [2-(Hydroxymethyl)-2-(octadec-9-enoyloxymethyl)butyl] octadec-9-enoate is C42H78O5.
What is the molecular weight of [2-(Hydroxymethyl)-2-(octadec-9-enoyloxymethyl)butyl] octadec-9-enoate?
The molecular weight of [2-(Hydroxymethyl)-2-(octadec-9-enoyloxymethyl)butyl] octadec-9-enoate is 662.58 g/mol.
Where can I buy [2-(Hydroxymethyl)-2-(octadec-9-enoyloxymethyl)butyl] octadec-9-enoate?
You can request a quote for [2-(Hydroxymethyl)-2-(octadec-9-enoyloxymethyl)butyl] octadec-9-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(Hydroxymethyl)-2-(octadec-9-enoyloxymethyl)butyl] octadec-9-enoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(Hydroxymethyl)-2-(octadec-9-enoyloxymethyl)butyl] octadec-9-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.