Ditrimethylolpropane
TL;DR: Ditrimethylolpropane (CAS 23235-61-2) is a chemical compound with molecular formula C12H26O5 and molecular weight 250.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,2-bis(hydroxymethyl)butoxymethyl]-2-ethylpropane-1,3-diol
Also Known As: Ditrimethylolpropane, Di(trimethylolpropane), Di-Trimethylolpropane, Di(trimethylol propane), dTMP
| Molecular Formula | C12H26O5 |
|---|---|
| Molecular Weight | 250.18 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 90.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 250.17802 |
| Heavy Atoms | 17 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 23235-61-2 |
|---|---|
| SMILES | CCC(CO)(CO)COCC(CC)(CO)CO |
| InChIKey | WMYINDVYGQKYMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ditrimethylolpropane (CAS 23235-61-2), with molecular formula C12H26O5 and molecular weight 250.18 g/mol. IUPAC: 2-[2,2-bis(hydroxymethyl)butoxymethyl]-2-ethylpropane-1,3-diol.
Chemical Property Profile of Ditrimethylolpropane
Property Insights of Ditrimethylolpropane
The XLogP value of -0.6 indicates that Ditrimethylolpropane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ditrimethylolpropane. Following Lipinski's Rule of Five, Ditrimethylolpropane has 4 hydrogen bond donor(s) and 5 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 Ditrimethylolpropane?
The CAS number of Ditrimethylolpropane is 23235-61-2.
What is the molecular formula of Ditrimethylolpropane?
The molecular formula of Ditrimethylolpropane is C12H26O5.
What is the molecular weight of Ditrimethylolpropane?
The molecular weight of Ditrimethylolpropane is 250.18 g/mol.
Where can I buy Ditrimethylolpropane?
You can request a quote for Ditrimethylolpropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ditrimethylolpropane?
Yes, KEHONG BIO provides custom synthesis services for Ditrimethylolpropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.