Heptanoic acid, mixed esters with butyric acid and pentaerythritol
TL;DR: Heptanoic acid, mixed esters with butyric acid and pentaerythritol (CAS 68937-22-4) is a chemical compound with molecular formula C16H34O8 and molecular weight 354.23 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;butanoic acid;heptanoic acid
Also Known As: Heptanoic acid, mixed esters with butyric acid and pentaerythritol, 2,2-bis(hydroxymethyl)propane-1,3-diol; butyric acid; heptanoic acid, 2,2-bis(hydroxymethyl)propane-1,3-diol; butanoic acid; heptanoic acid, 273-056-9, EINECS 273-056-9
| Molecular Formula | C16H34O8 |
|---|---|
| Molecular Weight | 354.23 g/mol |
| LogP | 0.85 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 354.22537 |
| Heavy Atoms | 24 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 68937-22-4 |
|---|---|
| SMILES | CCCCCCC(=O)O.CCCC(=O)O.C(C(CO)(CO)CO)O |
| InChIKey | BKRSVSWPEAFCKQ-UHFFFAOYSA-N |
Product Overview
Heptanoic acid, mixed esters with butyric acid and pentaerythritol (CAS 68937-22-4), with molecular formula C16H34O8 and molecular weight 354.23 g/mol. IUPAC: 2,2-bis(hydroxymethyl)propane-1,3-diol;butanoic acid;heptanoic acid.
Chemical Property Profile of Heptanoic acid, mixed esters with butyric acid and pentaerythritol
Property Insights of Heptanoic acid, mixed esters with butyric acid and pentaerythritol
The XLogP value of 0.85 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptanoic acid, mixed esters with butyric acid and pentaerythritol. The TPSA of 156.0 Ų indicates high polarity, suggesting Heptanoic acid, mixed esters with butyric acid and pentaerythritol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Heptanoic acid, mixed esters with butyric acid and pentaerythritol has 6 hydrogen bond donor(s) and 8 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 butyric acid and pentaerythritol?
The CAS number of Heptanoic acid, mixed esters with butyric acid and pentaerythritol is 68937-22-4.
What is the molecular formula of Heptanoic acid, mixed esters with butyric acid and pentaerythritol?
The molecular formula of Heptanoic acid, mixed esters with butyric acid and pentaerythritol is C16H34O8.
What is the molecular weight of Heptanoic acid, mixed esters with butyric acid and pentaerythritol?
The molecular weight of Heptanoic acid, mixed esters with butyric acid and pentaerythritol is 354.23 g/mol.
Where can I buy Heptanoic acid, mixed esters with butyric acid and pentaerythritol?
You can request a quote for Heptanoic acid, mixed esters with butyric 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 Heptanoic acid, mixed esters with butyric acid and pentaerythritol?
Yes, KEHONG BIO provides custom synthesis services for Heptanoic acid, mixed esters with butyric acid and pentaerythritol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.