2,5-Cyclohexadiene-1,4-dione, compd. with 2-methylbenzene-1,4-diol
TL;DR: 2,5-Cyclohexadiene-1,4-dione, compd. with 2-methylbenzene-1,4-diol (CAS 55836-33-4) is a chemical compound with molecular formula C13H12O4 and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexa-2,5-diene-1,4-dione;2-methylbenzene-1,4-diol
Also Known As: p-benzoquinone/methylhydroquinone 1:1 complex, cyclohexa-2,5-diene-1,4-dione; 2-methylbenzene-1,4-diol, 2,5-Cyclohexadiene-1,4-dione, compd. with 2- methylbenzene-1,4-diol, 2,5-CYCLOHEXADIENE-1,4-DIONE, COMPD. W/2-METHY*, 2,5-Cyclohexadiene-1,4-dione, compd. with 2-methylbenzene-1,4-diol
| Molecular Formula | C13H12O4 |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 1.66 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.07356 |
| Heavy Atoms | 17 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 55836-33-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)O)O.C1=CC(=O)C=CC1=O |
| InChIKey | KUOXPUQBFBZTCK-UHFFFAOYSA-N |
Product Overview
2,5-Cyclohexadiene-1,4-dione, compd. with 2-methylbenzene-1,4-diol (CAS 55836-33-4), with molecular formula C13H12O4 and molecular weight 232.07 g/mol. IUPAC: cyclohexa-2,5-diene-1,4-dione;2-methylbenzene-1,4-diol.
Chemical Property Profile of 2,5-Cyclohexadiene-1,4-dione, compd. with 2-methylbenzene-1,4-diol
Property Insights of 2,5-Cyclohexadiene-1,4-dione, compd. with 2-methylbenzene-1,4-diol
The XLogP value of 1.66 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Cyclohexadiene-1,4-dione, compd. with 2-methylbenzene-1,4-diol. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Cyclohexadiene-1,4-dione, compd. with 2-methylbenzene-1,4-diol. Following Lipinski's Rule of Five, 2,5-Cyclohexadiene-1,4-dione, compd. with 2-methylbenzene-1,4-diol has 2 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 2,5-Cyclohexadiene-1,4-dione, compd. with 2-methylbenzene-1,4-diol?
The CAS number of 2,5-Cyclohexadiene-1,4-dione, compd. with 2-methylbenzene-1,4-diol is 55836-33-4.
What is the molecular formula of 2,5-Cyclohexadiene-1,4-dione, compd. with 2-methylbenzene-1,4-diol?
The molecular formula of 2,5-Cyclohexadiene-1,4-dione, compd. with 2-methylbenzene-1,4-diol is C13H12O4.
What is the molecular weight of 2,5-Cyclohexadiene-1,4-dione, compd. with 2-methylbenzene-1,4-diol?
The molecular weight of 2,5-Cyclohexadiene-1,4-dione, compd. with 2-methylbenzene-1,4-diol is 232.07 g/mol.
Where can I buy 2,5-Cyclohexadiene-1,4-dione, compd. with 2-methylbenzene-1,4-diol?
You can request a quote for 2,5-Cyclohexadiene-1,4-dione, compd. with 2-methylbenzene-1,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Cyclohexadiene-1,4-dione, compd. with 2-methylbenzene-1,4-diol?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Cyclohexadiene-1,4-dione, compd. with 2-methylbenzene-1,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.