1,3-Benzodioxole, 4,7-bis(1,1-dimethylethyl)-2-phenyl-
TL;DR: 1,3-Benzodioxole, 4,7-bis(1,1-dimethylethyl)-2-phenyl- (CAS 51786-62-0) is a chemical compound with molecular formula C21H26O2 and molecular weight 310.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-ditert-butyl-2-phenyl-1,3-benzodioxole
Also Known As: 2,5-Xylidine,hydrochloride, 4,7-ditert-butyl-2-phenyl-1,3-benzodioxole, 4,7-di-tert-butyl-2-phenyl-1,3-benzodioxole, 1,3-Benzodioxole, 4,7-bis(1,1-dimethylethyl)-2-phenyl-, 2-Phenyl-4,7-di-tert-butyl-1,3-benzodioxole
| Molecular Formula | C21H26O2 |
|---|---|
| Molecular Weight | 310.19 g/mol |
| LogP | 5.7516 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 310.19327 |
| Heavy Atoms | 23 |
| Complexity | 660.1019 |
Chemical Identifiers
| CAS Number | 51786-62-0 |
|---|---|
| SMILES | CC(C)(C)C1=C2C(=C(C=C1)C(C)(C)C)OC(O2)C3=CC=CC=C3 |
Product Overview
1,3-Benzodioxole, 4,7-bis(1,1-dimethylethyl)-2-phenyl- (CAS 51786-62-0), with molecular formula C21H26O2 and molecular weight 310.19 g/mol. IUPAC: 4,7-ditert-butyl-2-phenyl-1,3-benzodioxole.
Chemical Property Profile of 1,3-Benzodioxole, 4,7-bis(1,1-dimethylethyl)-2-phenyl-
Property Insights of 1,3-Benzodioxole, 4,7-bis(1,1-dimethylethyl)-2-phenyl-
The XLogP value of 5.7516 indicates that 1,3-Benzodioxole, 4,7-bis(1,1-dimethylethyl)-2-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.46 Ų, 1,3-Benzodioxole, 4,7-bis(1,1-dimethylethyl)-2-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 4,7-bis(1,1-dimethylethyl)-2-phenyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Benzodioxole, 4,7-bis(1,1-dimethylethyl)-2-phenyl-?
The CAS number of 1,3-Benzodioxole, 4,7-bis(1,1-dimethylethyl)-2-phenyl- is 51786-62-0.
What is the molecular formula of 1,3-Benzodioxole, 4,7-bis(1,1-dimethylethyl)-2-phenyl-?
The molecular formula of 1,3-Benzodioxole, 4,7-bis(1,1-dimethylethyl)-2-phenyl- is C21H26O2.
What is the molecular weight of 1,3-Benzodioxole, 4,7-bis(1,1-dimethylethyl)-2-phenyl-?
The molecular weight of 1,3-Benzodioxole, 4,7-bis(1,1-dimethylethyl)-2-phenyl- is 310.19 g/mol.
Where can I buy 1,3-Benzodioxole, 4,7-bis(1,1-dimethylethyl)-2-phenyl-?
You can request a quote for 1,3-Benzodioxole, 4,7-bis(1,1-dimethylethyl)-2-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole, 4,7-bis(1,1-dimethylethyl)-2-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole, 4,7-bis(1,1-dimethylethyl)-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.