Nonanedioic acid, mixed esters with heptanoic acid and pentaerythritol
TL;DR: Nonanedioic acid, mixed esters with heptanoic acid and pentaerythritol (CAS 68937-34-8) is a chemical compound with molecular formula C21H42O10 and molecular weight 454.28 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;nonanedioic acid
Also Known As: Nonanedioic acid, mixed esters with heptanoic acid and pentaerythritol, 2,2-bis(hydroxymethyl)propane-1,3-diol; heptanoic acid; nonanedioic acid, 2,2-Bis(hydroxymethyl)propane-1,3-diol;heptanoic acid;nonanedioic acid, RefChem:166448
| Molecular Formula | C21H42O10 |
|---|---|
| Molecular Weight | 454.28 g/mol |
| LogP | 1.87 |
| Topological Polar Surface Area | 193.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 17 |
| Exact Mass | 454.2778 |
| Heavy Atoms | 31 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 68937-34-8 |
|---|---|
| SMILES | CCCCCCC(=O)O.C(CCCC(=O)O)CCCC(=O)O.C(C(CO)(CO)CO)O |
| InChIKey | YMPZOJWKVRTGLZ-UHFFFAOYSA-N |
Product Overview
Nonanedioic acid, mixed esters with heptanoic acid and pentaerythritol (CAS 68937-34-8), with molecular formula C21H42O10 and molecular weight 454.28 g/mol. IUPAC: 2,2-bis(hydroxymethyl)propane-1,3-diol;heptanoic acid;nonanedioic acid.
Chemical Property Profile of Nonanedioic acid, mixed esters with heptanoic acid and pentaerythritol
Property Insights of Nonanedioic acid, mixed esters with heptanoic acid and pentaerythritol
The XLogP value of 1.87 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nonanedioic acid, mixed esters with heptanoic acid and pentaerythritol. The TPSA of 193.0 Ų indicates high polarity, suggesting Nonanedioic acid, mixed esters with heptanoic acid and pentaerythritol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nonanedioic acid, mixed esters with heptanoic acid and pentaerythritol has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nonanedioic acid, mixed esters with heptanoic acid and pentaerythritol?
The CAS number of Nonanedioic acid, mixed esters with heptanoic acid and pentaerythritol is 68937-34-8.
What is the molecular formula of Nonanedioic acid, mixed esters with heptanoic acid and pentaerythritol?
The molecular formula of Nonanedioic acid, mixed esters with heptanoic acid and pentaerythritol is C21H42O10.
What is the molecular weight of Nonanedioic acid, mixed esters with heptanoic acid and pentaerythritol?
The molecular weight of Nonanedioic acid, mixed esters with heptanoic acid and pentaerythritol is 454.28 g/mol.
Where can I buy Nonanedioic acid, mixed esters with heptanoic acid and pentaerythritol?
You can request a quote for Nonanedioic acid, 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 Nonanedioic acid, mixed esters with heptanoic acid and pentaerythritol?
Yes, KEHONG BIO provides custom synthesis services for Nonanedioic acid, mixed esters with heptanoic acid and pentaerythritol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.