6-tert-Butyl-2,3-epoxy-1,4-benzoquinone
TL;DR: 6-tert-Butyl-2,3-epoxy-1,4-benzoquinone (CAS 158592-93-9) is a chemical compound with molecular formula C10H14O3 and molecular weight 182.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,5R,6R)-3-tert-butyl-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-en-2-one
Also Known As: Tbe-BQ, (4R)-TBEH, 6-tert-Butyl-2,3-epoxy-1,4-benzoquinone, SID:53788715, J1.057.888D
| Molecular Formula | C10H14O3 |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.0943 |
| Heavy Atoms | 13 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 158592-93-9 |
|---|---|
| SMILES | CC(C)(C)C1=C[C@H]([C@@H]2[C@H](C1=O)O2)O |
| InChIKey | PSYOCQSPCVZCHY-VDAHYXPESA-N |
Product Overview
6-tert-Butyl-2,3-epoxy-1,4-benzoquinone (CAS 158592-93-9), with molecular formula C10H14O3 and molecular weight 182.09 g/mol. IUPAC: (1R,5R,6R)-3-tert-butyl-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-en-2-one.
Chemical Property Profile of 6-tert-Butyl-2,3-epoxy-1,4-benzoquinone
Property Insights of 6-tert-Butyl-2,3-epoxy-1,4-benzoquinone
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-tert-Butyl-2,3-epoxy-1,4-benzoquinone. With a topological polar surface area (TPSA) of 49.8 Ų, 6-tert-Butyl-2,3-epoxy-1,4-benzoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-tert-Butyl-2,3-epoxy-1,4-benzoquinone 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 6-tert-Butyl-2,3-epoxy-1,4-benzoquinone?
The CAS number of 6-tert-Butyl-2,3-epoxy-1,4-benzoquinone is 158592-93-9.
What is the molecular formula of 6-tert-Butyl-2,3-epoxy-1,4-benzoquinone?
The molecular formula of 6-tert-Butyl-2,3-epoxy-1,4-benzoquinone is C10H14O3.
What is the molecular weight of 6-tert-Butyl-2,3-epoxy-1,4-benzoquinone?
The molecular weight of 6-tert-Butyl-2,3-epoxy-1,4-benzoquinone is 182.09 g/mol.
Where can I buy 6-tert-Butyl-2,3-epoxy-1,4-benzoquinone?
You can request a quote for 6-tert-Butyl-2,3-epoxy-1,4-benzoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-tert-Butyl-2,3-epoxy-1,4-benzoquinone?
Yes, KEHONG BIO provides custom synthesis services for 6-tert-Butyl-2,3-epoxy-1,4-benzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.