4-Hydroxymethyl-3,3,4-trimethyl-1,2-dioxetane
TL;DR: 4-Hydroxymethyl-3,3,4-trimethyl-1,2-dioxetane (CAS 84114-76-1) is a chemical compound with molecular formula C6H12O3 and molecular weight 132.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4,4-trimethyldioxetan-3-yl)methanol
Also Known As: HTMD cpd, Coenzyme A thiosulfonate, 4-Hydroxymethyl-3,3,4-trimethyl-1,2-dioxetane, Hydroxymethyltrimethyl-1,2-dioxethane, 3,4,4-Trimethyl-1,2-dioxetane-3-methanol
| Molecular Formula | C6H12O3 |
|---|---|
| Molecular Weight | 132.08 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 132.07864 |
| Heavy Atoms | 9 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 84114-76-1 |
|---|---|
| SMILES | CC1(C(OO1)(C)CO)C |
| InChIKey | JQVQHBAHURDRSY-UHFFFAOYSA-N |
Product Overview
4-Hydroxymethyl-3,3,4-trimethyl-1,2-dioxetane (CAS 84114-76-1), with molecular formula C6H12O3 and molecular weight 132.08 g/mol. IUPAC: (3,4,4-trimethyldioxetan-3-yl)methanol.
Chemical Property Profile of 4-Hydroxymethyl-3,3,4-trimethyl-1,2-dioxetane
Property Insights of 4-Hydroxymethyl-3,3,4-trimethyl-1,2-dioxetane
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxymethyl-3,3,4-trimethyl-1,2-dioxetane. With a topological polar surface area (TPSA) of 38.7 Ų, 4-Hydroxymethyl-3,3,4-trimethyl-1,2-dioxetane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxymethyl-3,3,4-trimethyl-1,2-dioxetane has 1 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 4-Hydroxymethyl-3,3,4-trimethyl-1,2-dioxetane?
The CAS number of 4-Hydroxymethyl-3,3,4-trimethyl-1,2-dioxetane is 84114-76-1.
What is the molecular formula of 4-Hydroxymethyl-3,3,4-trimethyl-1,2-dioxetane?
The molecular formula of 4-Hydroxymethyl-3,3,4-trimethyl-1,2-dioxetane is C6H12O3.
What is the molecular weight of 4-Hydroxymethyl-3,3,4-trimethyl-1,2-dioxetane?
The molecular weight of 4-Hydroxymethyl-3,3,4-trimethyl-1,2-dioxetane is 132.08 g/mol.
Where can I buy 4-Hydroxymethyl-3,3,4-trimethyl-1,2-dioxetane?
You can request a quote for 4-Hydroxymethyl-3,3,4-trimethyl-1,2-dioxetane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxymethyl-3,3,4-trimethyl-1,2-dioxetane?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxymethyl-3,3,4-trimethyl-1,2-dioxetane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.