3-tert-Butyl-5-methoxy-1,2-benzoquinone
TL;DR: 3-tert-Butyl-5-methoxy-1,2-benzoquinone (CAS 2940-63-8) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-5-methoxycyclohexa-3,5-diene-1,2-dione
Also Known As: 3-tert-Butyl-5-methoxy-1,2-benzoquinone, 3-tert-butyl-5-methoxycyclohexa-3,5-diene-1,2-dione, 3-tert-Butylanisole-4,5-quinone, 3-tert-Butyl-5-methoxy-1, 2-quinone, 3-tert-butyl-5-methoxy-1,2-quinone
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 2940-63-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=O)C1=O)OC |
| InChIKey | KRDZTMDQDYDESS-UHFFFAOYSA-N |
Product Overview
3-tert-Butyl-5-methoxy-1,2-benzoquinone (CAS 2940-63-8), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 3-tert-butyl-5-methoxycyclohexa-3,5-diene-1,2-dione.
Chemical Property Profile of 3-tert-Butyl-5-methoxy-1,2-benzoquinone
Property Insights of 3-tert-Butyl-5-methoxy-1,2-benzoquinone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-tert-Butyl-5-methoxy-1,2-benzoquinone. With a topological polar surface area (TPSA) of 43.4 Ų, 3-tert-Butyl-5-methoxy-1,2-benzoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-tert-Butyl-5-methoxy-1,2-benzoquinone has 0 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 3-tert-Butyl-5-methoxy-1,2-benzoquinone?
The CAS number of 3-tert-Butyl-5-methoxy-1,2-benzoquinone is 2940-63-8.
What is the molecular formula of 3-tert-Butyl-5-methoxy-1,2-benzoquinone?
The molecular formula of 3-tert-Butyl-5-methoxy-1,2-benzoquinone is C11H14O3.
What is the molecular weight of 3-tert-Butyl-5-methoxy-1,2-benzoquinone?
The molecular weight of 3-tert-Butyl-5-methoxy-1,2-benzoquinone is 194.09 g/mol.
Where can I buy 3-tert-Butyl-5-methoxy-1,2-benzoquinone?
You can request a quote for 3-tert-Butyl-5-methoxy-1,2-benzoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-tert-Butyl-5-methoxy-1,2-benzoquinone?
Yes, KEHONG BIO provides custom synthesis services for 3-tert-Butyl-5-methoxy-1,2-benzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.