2-Methoxy-5-(3-methylbut-2-EN-1-YL)cyclohexa-2,5-diene-1,4-dione
TL;DR: 2-Methoxy-5-(3-methylbut-2-EN-1-YL)cyclohexa-2,5-diene-1,4-dione (CAS 80464-91-1) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-5-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione
Also Known As: 2-Methoxy-5-(3-methyl-2-butenyl)-1,4-benzoquinone, 2-methoxy-5-(3-methylbut-2-enyl)-1,4-benzoquinone, 2-methoxy-5-(3'-methyl-2'-butenyl)-1,4-benzoquinone, 2-Methoxy-5-(3-methylbut-2-en-1-yl)benzo-1,4-quinone, 2-methoxy-5-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 80464-91-1 |
|---|---|
| SMILES | CC(=CCC1=CC(=O)C(=CC1=O)OC)C |
| InChIKey | OFDFNYYEASRABR-UHFFFAOYSA-N |
Product Overview
2-Methoxy-5-(3-methylbut-2-EN-1-YL)cyclohexa-2,5-diene-1,4-dione (CAS 80464-91-1), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: 2-methoxy-5-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2-Methoxy-5-(3-methylbut-2-EN-1-YL)cyclohexa-2,5-diene-1,4-dione
Property Insights of 2-Methoxy-5-(3-methylbut-2-EN-1-YL)cyclohexa-2,5-diene-1,4-dione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-5-(3-methylbut-2-EN-1-YL)cyclohexa-2,5-diene-1,4-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Methoxy-5-(3-methylbut-2-EN-1-YL)cyclohexa-2,5-diene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxy-5-(3-methylbut-2-EN-1-YL)cyclohexa-2,5-diene-1,4-dione 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 2-Methoxy-5-(3-methylbut-2-EN-1-YL)cyclohexa-2,5-diene-1,4-dione?
The CAS number of 2-Methoxy-5-(3-methylbut-2-EN-1-YL)cyclohexa-2,5-diene-1,4-dione is 80464-91-1.
What is the molecular formula of 2-Methoxy-5-(3-methylbut-2-EN-1-YL)cyclohexa-2,5-diene-1,4-dione?
The molecular formula of 2-Methoxy-5-(3-methylbut-2-EN-1-YL)cyclohexa-2,5-diene-1,4-dione is C12H14O3.
What is the molecular weight of 2-Methoxy-5-(3-methylbut-2-EN-1-YL)cyclohexa-2,5-diene-1,4-dione?
The molecular weight of 2-Methoxy-5-(3-methylbut-2-EN-1-YL)cyclohexa-2,5-diene-1,4-dione is 206.09 g/mol.
Where can I buy 2-Methoxy-5-(3-methylbut-2-EN-1-YL)cyclohexa-2,5-diene-1,4-dione?
You can request a quote for 2-Methoxy-5-(3-methylbut-2-EN-1-YL)cyclohexa-2,5-diene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxy-5-(3-methylbut-2-EN-1-YL)cyclohexa-2,5-diene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-5-(3-methylbut-2-EN-1-YL)cyclohexa-2,5-diene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.