9-Octadecenoic acid (9Z)-, mixed esters with heptanoic acid and pentaerythritol
TL;DR: 9-Octadecenoic acid (9Z)-, mixed esters with heptanoic acid and pentaerythritol (CAS 71077-08-2) is a chemical compound with molecular formula C30H60O8 and molecular weight 548.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(hydroxymethyl)propane-1,3-diol;heptanoic acid;(Z)-octadec-9-enoic acid
Also Known As: 9-Octadecenoic acid (9Z)-, mixed esters with heptanoic acid and pentaerythritol, 2,2-bis(hydroxymethyl)propane-1,3-diol; heptanoic acid; (Z)-octadec-9-enoic acid, RefChem:108127
| Molecular Formula | C30H60O8 |
|---|---|
| Molecular Weight | 548.43 g/mol |
| LogP | 6.0919 |
| Topological Polar Surface Area | 155.52 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 24 |
| Exact Mass | 548.42883 |
| Heavy Atoms | 38 |
| Complexity | 500.87247 |
Chemical Identifiers
| CAS Number | 71077-08-2 |
|---|---|
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCC(=O)O.C(C(CO)(CO)CO)O |
Product Overview
9-Octadecenoic acid (9Z)-, mixed esters with heptanoic acid and pentaerythritol (CAS 71077-08-2), with molecular formula C30H60O8 and molecular weight 548.43 g/mol. IUPAC: 2,2-bis(hydroxymethyl)propane-1,3-diol;heptanoic acid;(Z)-octadec-9-enoic acid.
Chemical Property Profile of 9-Octadecenoic acid (9Z)-, mixed esters with heptanoic acid and pentaerythritol
Property Insights of 9-Octadecenoic acid (9Z)-, mixed esters with heptanoic acid and pentaerythritol
The XLogP value of 6.0919 indicates that 9-Octadecenoic acid (9Z)-, mixed esters with heptanoic acid and pentaerythritol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.52 Ų indicates high polarity, suggesting 9-Octadecenoic acid (9Z)-, mixed esters with heptanoic acid and pentaerythritol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-Octadecenoic acid (9Z)-, mixed esters with heptanoic acid and pentaerythritol has 6 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)-, mixed esters with heptanoic acid and pentaerythritol?
The CAS number of 9-Octadecenoic acid (9Z)-, mixed esters with heptanoic acid and pentaerythritol is 71077-08-2.
What is the molecular formula of 9-Octadecenoic acid (9Z)-, mixed esters with heptanoic acid and pentaerythritol?
The molecular formula of 9-Octadecenoic acid (9Z)-, mixed esters with heptanoic acid and pentaerythritol is C30H60O8.
What is the molecular weight of 9-Octadecenoic acid (9Z)-, mixed esters with heptanoic acid and pentaerythritol?
The molecular weight of 9-Octadecenoic acid (9Z)-, mixed esters with heptanoic acid and pentaerythritol is 548.43 g/mol.
Where can I buy 9-Octadecenoic acid (9Z)-, mixed esters with heptanoic acid and pentaerythritol?
You can request a quote for 9-Octadecenoic acid (9Z)-, mixed esters with heptanoic acid and pentaerythritol 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)-, mixed esters with heptanoic acid and pentaerythritol?
Yes, KEHONG BIO provides custom synthesis services for 9-Octadecenoic acid (9Z)-, mixed esters with heptanoic acid and pentaerythritol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.