5,8-Ditert-butyl-2,3-dihydro-1,4-benzodioxine-6,7-dione
TL;DR: 5,8-Ditert-butyl-2,3-dihydro-1,4-benzodioxine-6,7-dione (CAS 127635-69-2) is a chemical compound with molecular formula C16H22O4 and molecular weight 278.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,8-ditert-butyl-2,3-dihydro-1,4-benzodioxine-6,7-dione
Also Known As: J2.639.571B, AB00074924-01, 5,8-ditert-butyl-2,3-dihydro-1,4-benzodioxine-6,7-dione, 5,8-di-t-butyl-2,3-dihydro-1,4-benzodioxine-6,7-dione, 5,8-Di-tert-butyl-2,3-dihydro-1,4-benzodioxin-6,7-dione
| Molecular Formula | C16H22O4 |
|---|---|
| Molecular Weight | 278.15 g/mol |
| LogP | 2.7854 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 278.1518 |
| Heavy Atoms | 20 |
| Complexity | 485.80463 |
Chemical Identifiers
| CAS Number | 127635-69-2 |
|---|---|
| SMILES | CC(C)(C)C1=C2C(=C(C(=O)C1=O)C(C)(C)C)OCCO2 |
Product Overview
5,8-Ditert-butyl-2,3-dihydro-1,4-benzodioxine-6,7-dione (CAS 127635-69-2), with molecular formula C16H22O4 and molecular weight 278.15 g/mol. IUPAC: 5,8-ditert-butyl-2,3-dihydro-1,4-benzodioxine-6,7-dione.
Chemical Property Profile of 5,8-Ditert-butyl-2,3-dihydro-1,4-benzodioxine-6,7-dione
Property Insights of 5,8-Ditert-butyl-2,3-dihydro-1,4-benzodioxine-6,7-dione
The XLogP value of 2.7854 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,8-Ditert-butyl-2,3-dihydro-1,4-benzodioxine-6,7-dione. With a topological polar surface area (TPSA) of 52.6 Ų, 5,8-Ditert-butyl-2,3-dihydro-1,4-benzodioxine-6,7-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,8-Ditert-butyl-2,3-dihydro-1,4-benzodioxine-6,7-dione has 0 hydrogen bond donor(s) and 4 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 5,8-Ditert-butyl-2,3-dihydro-1,4-benzodioxine-6,7-dione?
The CAS number of 5,8-Ditert-butyl-2,3-dihydro-1,4-benzodioxine-6,7-dione is 127635-69-2.
What is the molecular formula of 5,8-Ditert-butyl-2,3-dihydro-1,4-benzodioxine-6,7-dione?
The molecular formula of 5,8-Ditert-butyl-2,3-dihydro-1,4-benzodioxine-6,7-dione is C16H22O4.
What is the molecular weight of 5,8-Ditert-butyl-2,3-dihydro-1,4-benzodioxine-6,7-dione?
The molecular weight of 5,8-Ditert-butyl-2,3-dihydro-1,4-benzodioxine-6,7-dione is 278.15 g/mol.
Where can I buy 5,8-Ditert-butyl-2,3-dihydro-1,4-benzodioxine-6,7-dione?
You can request a quote for 5,8-Ditert-butyl-2,3-dihydro-1,4-benzodioxine-6,7-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,8-Ditert-butyl-2,3-dihydro-1,4-benzodioxine-6,7-dione?
Yes, KEHONG BIO provides custom synthesis services for 5,8-Ditert-butyl-2,3-dihydro-1,4-benzodioxine-6,7-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.