2,2-Bis(hydroxymethyl)butyl docosanoate
TL;DR: 2,2-Bis(hydroxymethyl)butyl docosanoate (CAS 94201-60-2) is a chemical compound with molecular formula C28H56O4 and molecular weight 456.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(hydroxymethyl)butyl docosanoate
Also Known As: 2,2-Bis(hydroxymethyl)butyl docosanoate, EINECS 303-648-5, 2,2-bis-(Hydroxymethyl)butyl docosanoate, Docosanoic acid, 2,2-bis(hydroxymethyl)butyl ester, Docosanoic acid 2,2-bis(hydroxymethyl)butyl ester
| Molecular Formula | C28H56O4 |
|---|---|
| Molecular Weight | 456.42 g/mol |
| LogP | 7.7325 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 25 |
| Exact Mass | 456.41785 |
| Heavy Atoms | 32 |
| Complexity | 384.62894 |
Chemical Identifiers
| CAS Number | 94201-60-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CC)(CO)CO |
Product Overview
2,2-Bis(hydroxymethyl)butyl docosanoate (CAS 94201-60-2), with molecular formula C28H56O4 and molecular weight 456.42 g/mol. IUPAC: 2,2-bis(hydroxymethyl)butyl docosanoate.
Chemical Property Profile of 2,2-Bis(hydroxymethyl)butyl docosanoate
Property Insights of 2,2-Bis(hydroxymethyl)butyl docosanoate
The XLogP value of 7.7325 indicates that 2,2-Bis(hydroxymethyl)butyl docosanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Bis(hydroxymethyl)butyl docosanoate. Following Lipinski's Rule of Five, 2,2-Bis(hydroxymethyl)butyl docosanoate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2-Bis(hydroxymethyl)butyl docosanoate?
The CAS number of 2,2-Bis(hydroxymethyl)butyl docosanoate is 94201-60-2.
What is the molecular formula of 2,2-Bis(hydroxymethyl)butyl docosanoate?
The molecular formula of 2,2-Bis(hydroxymethyl)butyl docosanoate is C28H56O4.
What is the molecular weight of 2,2-Bis(hydroxymethyl)butyl docosanoate?
The molecular weight of 2,2-Bis(hydroxymethyl)butyl docosanoate is 456.42 g/mol.
Where can I buy 2,2-Bis(hydroxymethyl)butyl docosanoate?
You can request a quote for 2,2-Bis(hydroxymethyl)butyl docosanoate 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 docosanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Bis(hydroxymethyl)butyl docosanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.