2,2-Dimethyl-5-tert-butyl-1,3-benzodioxole
TL;DR: 2,2-Dimethyl-5-tert-butyl-1,3-benzodioxole (CAS 57258-58-9) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-2,2-dimethyl-1,3-benzodioxole
Also Known As: 2-Dbbd, 2,2-Dimethyl-5-tert-butyl-1,3-benzodioxole, Cyclohexanebutanoic acid, cadmium salt, 5-tert-butyl-2,2-dimethyl-1,3-benzodioxole, 5-(tert-Butyl)-2,2-dimethylbenzo[d][1,3]dioxole
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 57258-58-9 |
|---|---|
| SMILES | CC1(OC2=C(O1)C=C(C=C2)C(C)(C)C)C |
| InChIKey | ZIRCLOZJQPLYSS-UHFFFAOYSA-N |
Product Overview
2,2-Dimethyl-5-tert-butyl-1,3-benzodioxole (CAS 57258-58-9), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: 5-tert-butyl-2,2-dimethyl-1,3-benzodioxole.
Chemical Property Profile of 2,2-Dimethyl-5-tert-butyl-1,3-benzodioxole
Property Insights of 2,2-Dimethyl-5-tert-butyl-1,3-benzodioxole
The XLogP value of 3.4 indicates that 2,2-Dimethyl-5-tert-butyl-1,3-benzodioxole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 2,2-Dimethyl-5-tert-butyl-1,3-benzodioxole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-5-tert-butyl-1,3-benzodioxole has 0 hydrogen bond donor(s) and 2 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-Dimethyl-5-tert-butyl-1,3-benzodioxole?
The CAS number of 2,2-Dimethyl-5-tert-butyl-1,3-benzodioxole is 57258-58-9.
What is the molecular formula of 2,2-Dimethyl-5-tert-butyl-1,3-benzodioxole?
The molecular formula of 2,2-Dimethyl-5-tert-butyl-1,3-benzodioxole is C13H18O2.
What is the molecular weight of 2,2-Dimethyl-5-tert-butyl-1,3-benzodioxole?
The molecular weight of 2,2-Dimethyl-5-tert-butyl-1,3-benzodioxole is 206.13 g/mol.
Where can I buy 2,2-Dimethyl-5-tert-butyl-1,3-benzodioxole?
You can request a quote for 2,2-Dimethyl-5-tert-butyl-1,3-benzodioxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-5-tert-butyl-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-5-tert-butyl-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.