Heptanoic acid, mixed esters with dipentaerythritol and valeric acid
TL;DR: Heptanoic acid, mixed esters with dipentaerythritol and valeric acid (CAS 68441-93-0) is a chemical compound with molecular formula C22H46O11 and molecular weight 486.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptanoic acid;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;pentanoic acid
Also Known As: Dipentaerythritol, ester with valeric acid and enanthylic acid, Heptanoic acid mixed esters with dipentaerythritol and valeric acid, Heptanoic acid, mixed esters with dipentaerythritol and valeric acid, Saturated straight-chain (C5 and C7) fatty acid dipentaerythritol ester, heptanoic acid; 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol; pentanoic acid
| Molecular Formula | C22H46O11 |
|---|---|
| Molecular Weight | 486.30 g/mol |
| LogP | 0.23 |
| Topological Polar Surface Area | 205.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 18 |
| Exact Mass | 486.30402 |
| Heavy Atoms | 33 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 68441-93-0 |
|---|---|
| SMILES | CCCCCCC(=O)O.CCCCC(=O)O.C(C(CO)(CO)COCC(CO)(CO)CO)O |
| InChIKey | IRNRPPMKPGXOOH-UHFFFAOYSA-N |
Product Overview
Heptanoic acid, mixed esters with dipentaerythritol and valeric acid (CAS 68441-93-0), with molecular formula C22H46O11 and molecular weight 486.30 g/mol. IUPAC: heptanoic acid;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;pentanoic acid.
Chemical Property Profile of Heptanoic acid, mixed esters with dipentaerythritol and valeric acid
Property Insights of Heptanoic acid, mixed esters with dipentaerythritol and valeric acid
The XLogP value of 0.23 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptanoic acid, mixed esters with dipentaerythritol and valeric acid. The TPSA of 205.0 Ų indicates high polarity, suggesting Heptanoic acid, mixed esters with dipentaerythritol and valeric acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Heptanoic acid, mixed esters with dipentaerythritol and valeric acid has 8 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Heptanoic acid, mixed esters with dipentaerythritol and valeric acid?
The CAS number of Heptanoic acid, mixed esters with dipentaerythritol and valeric acid is 68441-93-0.
What is the molecular formula of Heptanoic acid, mixed esters with dipentaerythritol and valeric acid?
The molecular formula of Heptanoic acid, mixed esters with dipentaerythritol and valeric acid is C22H46O11.
What is the molecular weight of Heptanoic acid, mixed esters with dipentaerythritol and valeric acid?
The molecular weight of Heptanoic acid, mixed esters with dipentaerythritol and valeric acid is 486.30 g/mol.
Where can I buy Heptanoic acid, mixed esters with dipentaerythritol and valeric acid?
You can request a quote for Heptanoic acid, mixed esters with dipentaerythritol and valeric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptanoic acid, mixed esters with dipentaerythritol and valeric acid?
Yes, KEHONG BIO provides custom synthesis services for Heptanoic acid, mixed esters with dipentaerythritol and valeric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.