9-Octadecenoic acid (9Z)-, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester
TL;DR: 9-Octadecenoic acid (9Z)-, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester (CAS 25151-96-6) is a chemical compound with molecular formula C41H76O6 and molecular weight 664.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,2-bis(hydroxymethyl)-3-octadec-9-enoyloxypropyl] octadec-9-enoate
Also Known As: Pentol, Pentaerythritol dioleate, Pentaerythrityl dioleate, EINECS 246-665-2, 2,2-Bis(hydroxymethyl)-1,3-propanediyl dioleate
| Molecular Formula | C41H76O6 |
|---|---|
| Molecular Weight | 664.56 g/mol |
| LogP | 11.1188 |
| Topological Polar Surface Area | 93.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 36 |
| Exact Mass | 664.5642 |
| Heavy Atoms | 47 |
| Complexity | 684.2166 |
Chemical Identifiers
| CAS Number | 25151-96-6 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCC=CCCCCCCCC |
Product Overview
9-Octadecenoic acid (9Z)-, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester (CAS 25151-96-6), with molecular formula C41H76O6 and molecular weight 664.56 g/mol. IUPAC: [2,2-bis(hydroxymethyl)-3-octadec-9-enoyloxypropyl] octadec-9-enoate.
Chemical Property Profile of 9-Octadecenoic acid (9Z)-, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester
Property Insights of 9-Octadecenoic acid (9Z)-, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester
The XLogP value of 11.1188 indicates that 9-Octadecenoic acid (9Z)-, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Octadecenoic acid (9Z)-, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester. Following Lipinski's Rule of Five, 9-Octadecenoic acid (9Z)-, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-Octadecenoic acid (9Z)-, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester?
The CAS number of 9-Octadecenoic acid (9Z)-, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester is 25151-96-6.
What is the molecular formula of 9-Octadecenoic acid (9Z)-, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester?
The molecular formula of 9-Octadecenoic acid (9Z)-, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester is C41H76O6.
What is the molecular weight of 9-Octadecenoic acid (9Z)-, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester?
The molecular weight of 9-Octadecenoic acid (9Z)-, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester is 664.56 g/mol.
Where can I buy 9-Octadecenoic acid (9Z)-, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester?
You can request a quote for 9-Octadecenoic acid (9Z)-, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Octadecenoic acid (9Z)-, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester?
Yes, KEHONG BIO provides custom synthesis services for 9-Octadecenoic acid (9Z)-, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.