Butylidynetrimethanol
TL;DR: Butylidynetrimethanol (CAS 7426-71-3) is a chemical compound with molecular formula C7H16O3 and molecular weight 148.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethyl)-2-propylpropane-1,3-diol
Also Known As: Butylidynetrimethanol, trimethylolbutane, Butylidynetrismethanol, 2-(hydroxymethyl)-2-propylpropane-1,3-diol, 4,4-DICHLOROCHALCONE
| Molecular Formula | C7H16O3 |
|---|---|
| Molecular Weight | 148.11 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 148.10994 |
| Heavy Atoms | 10 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 7426-71-3 |
|---|---|
| SMILES | CCCC(CO)(CO)CO |
| InChIKey | SZSSMFVYZRQGIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butylidynetrimethanol (CAS 7426-71-3), with molecular formula C7H16O3 and molecular weight 148.11 g/mol. IUPAC: 2-(hydroxymethyl)-2-propylpropane-1,3-diol.
Chemical Property Profile of Butylidynetrimethanol
Property Insights of Butylidynetrimethanol
The XLogP value of -0.3 indicates that Butylidynetrimethanol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Butylidynetrimethanol. Following Lipinski's Rule of Five, Butylidynetrimethanol has 3 hydrogen bond donor(s) and 3 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 Butylidynetrimethanol?
The CAS number of Butylidynetrimethanol is 7426-71-3.
What is the molecular formula of Butylidynetrimethanol?
The molecular formula of Butylidynetrimethanol is C7H16O3.
What is the molecular weight of Butylidynetrimethanol?
The molecular weight of Butylidynetrimethanol is 148.11 g/mol.
Where can I buy Butylidynetrimethanol?
You can request a quote for Butylidynetrimethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butylidynetrimethanol?
Yes, KEHONG BIO provides custom synthesis services for Butylidynetrimethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.