1,4-Benzodioxin, 6-(1,1-dimethylethyl)-2,3-dihydro-
TL;DR: 1,4-Benzodioxin, 6-(1,1-dimethylethyl)-2,3-dihydro- (CAS 93591-46-9) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-2,3-dihydro-1,4-benzodioxine
Also Known As: 6-tert-Buty-1,4-benzodioxan, 6-tert-butyl-2,3-dihydro-1,4-benzodioxine, 1,4-Benzodioxin, 6-(1,1-dimethylethyl)-2,3-dihydro-, 6-(tert-Butyl)-2,3-dihydrobenzo[b][1,4]dioxine
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 93591-46-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)OCCO2 |
| InChIKey | DGNGLIIXSGEQSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Benzodioxin, 6-(1,1-dimethylethyl)-2,3-dihydro- (CAS 93591-46-9), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 6-tert-butyl-2,3-dihydro-1,4-benzodioxine.
Chemical Property Profile of 1,4-Benzodioxin, 6-(1,1-dimethylethyl)-2,3-dihydro-
Property Insights of 1,4-Benzodioxin, 6-(1,1-dimethylethyl)-2,3-dihydro-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzodioxin, 6-(1,1-dimethylethyl)-2,3-dihydro-. With a topological polar surface area (TPSA) of 18.5 Ų, 1,4-Benzodioxin, 6-(1,1-dimethylethyl)-2,3-dihydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzodioxin, 6-(1,1-dimethylethyl)-2,3-dihydro- 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 1,4-Benzodioxin, 6-(1,1-dimethylethyl)-2,3-dihydro-?
The CAS number of 1,4-Benzodioxin, 6-(1,1-dimethylethyl)-2,3-dihydro- is 93591-46-9.
What is the molecular formula of 1,4-Benzodioxin, 6-(1,1-dimethylethyl)-2,3-dihydro-?
The molecular formula of 1,4-Benzodioxin, 6-(1,1-dimethylethyl)-2,3-dihydro- is C12H16O2.
What is the molecular weight of 1,4-Benzodioxin, 6-(1,1-dimethylethyl)-2,3-dihydro-?
The molecular weight of 1,4-Benzodioxin, 6-(1,1-dimethylethyl)-2,3-dihydro- is 192.12 g/mol.
Where can I buy 1,4-Benzodioxin, 6-(1,1-dimethylethyl)-2,3-dihydro-?
You can request a quote for 1,4-Benzodioxin, 6-(1,1-dimethylethyl)-2,3-dihydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzodioxin, 6-(1,1-dimethylethyl)-2,3-dihydro-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzodioxin, 6-(1,1-dimethylethyl)-2,3-dihydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.