2,2-Bis(hydroxymethyl)butyl octanoate
TL;DR: 2,2-Bis(hydroxymethyl)butyl octanoate (CAS 55680-73-4) is a chemical compound with molecular formula C14H28O4 and molecular weight 260.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(hydroxymethyl)butyl octanoate
Also Known As: 2,2-Bis(hydroxymethyl)butyl octanoate, EINECS 259-752-5, Trimethylolpropane caprylate, Trimethylolpropane octanoate, Octanoic acid,2,2-bis(hydroxymethyl)butyl ester
| Molecular Formula | C14H28O4 |
|---|---|
| Molecular Weight | 260.20 g/mol |
| LogP | 2.2711 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 260.19876 |
| Heavy Atoms | 18 |
| Complexity | 203.57487 |
Chemical Identifiers
| CAS Number | 55680-73-4 |
|---|---|
| SMILES | CCCCCCCC(=O)OCC(CC)(CO)CO |
Product Overview
2,2-Bis(hydroxymethyl)butyl octanoate (CAS 55680-73-4), with molecular formula C14H28O4 and molecular weight 260.20 g/mol. IUPAC: 2,2-bis(hydroxymethyl)butyl octanoate.
Chemical Property Profile of 2,2-Bis(hydroxymethyl)butyl octanoate
Property Insights of 2,2-Bis(hydroxymethyl)butyl octanoate
The XLogP value of 2.2711 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Bis(hydroxymethyl)butyl octanoate. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Bis(hydroxymethyl)butyl octanoate. Following Lipinski's Rule of Five, 2,2-Bis(hydroxymethyl)butyl octanoate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2-Bis(hydroxymethyl)butyl octanoate?
The CAS number of 2,2-Bis(hydroxymethyl)butyl octanoate is 55680-73-4.
What is the molecular formula of 2,2-Bis(hydroxymethyl)butyl octanoate?
The molecular formula of 2,2-Bis(hydroxymethyl)butyl octanoate is C14H28O4.
What is the molecular weight of 2,2-Bis(hydroxymethyl)butyl octanoate?
The molecular weight of 2,2-Bis(hydroxymethyl)butyl octanoate is 260.20 g/mol.
Where can I buy 2,2-Bis(hydroxymethyl)butyl octanoate?
You can request a quote for 2,2-Bis(hydroxymethyl)butyl octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Bis(hydroxymethyl)butyl octanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Bis(hydroxymethyl)butyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.