4-tert-Butyl-5-methoxy-o-benzoquinone
TL;DR: 4-tert-Butyl-5-methoxy-o-benzoquinone (CAS 36122-03-9) 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.
4-tert-butyl-5-methoxycyclohexa-3,5-diene-1,2-dione
Also Known As: 4-tert-Butyl-5-methoxy-o-benzoquinone, 4-tert-butyl-5-methoxycyclohexa-3,5-diene-1,2-dione, 4-tert-butyl-5-methoxy-1,2-quinone, 4-tert-butyl-5-methoxy-1,2-benzoquinone, 4-methoxy-5-t-butyl-1,2-benzoquinone
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 1.3 |
| 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 | 36122-03-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=O)C(=O)C=C1OC |
| InChIKey | CWFFIAHHCALISQ-UHFFFAOYSA-N |
Product Overview
4-tert-Butyl-5-methoxy-o-benzoquinone (CAS 36122-03-9), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 4-tert-butyl-5-methoxycyclohexa-3,5-diene-1,2-dione.
Chemical Property Profile of 4-tert-Butyl-5-methoxy-o-benzoquinone
Property Insights of 4-tert-Butyl-5-methoxy-o-benzoquinone
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-tert-Butyl-5-methoxy-o-benzoquinone. With a topological polar surface area (TPSA) of 43.4 Ų, 4-tert-Butyl-5-methoxy-o-benzoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-Butyl-5-methoxy-o-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 4-tert-Butyl-5-methoxy-o-benzoquinone?
The CAS number of 4-tert-Butyl-5-methoxy-o-benzoquinone is 36122-03-9.
What is the molecular formula of 4-tert-Butyl-5-methoxy-o-benzoquinone?
The molecular formula of 4-tert-Butyl-5-methoxy-o-benzoquinone is C11H14O3.
What is the molecular weight of 4-tert-Butyl-5-methoxy-o-benzoquinone?
The molecular weight of 4-tert-Butyl-5-methoxy-o-benzoquinone is 194.09 g/mol.
Where can I buy 4-tert-Butyl-5-methoxy-o-benzoquinone?
You can request a quote for 4-tert-Butyl-5-methoxy-o-benzoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-Butyl-5-methoxy-o-benzoquinone?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butyl-5-methoxy-o-benzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.