5,5'-Bi-p-toluquinone
TL;DR: 5,5'-Bi-p-toluquinone (CAS 4388-07-2) is a chemical compound with molecular formula C14H10O4 and molecular weight 242.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-5-(6-methyl-3,4-dioxocyclohexa-1,5-dien-1-yl)cyclohexa-3,5-diene-1,2-dione
Also Known As: 5,5'-Bi-p-toluquinone, 3-07-00-04758 (Beilstein Handbook Reference), 6,6'-dimethyl-1,1'-bi(cyclohexa-1,5-dien-1-yl)-3,3',4,4'-tetrone, (Bi-1,4-cyclohexadien-1-yl)-3,3',6,6'-tetrone, 4,4'-dimethyl-, (Bi-1,4-cyclohexadien-1-yl)-3,3',6,6'-tetrone, 4,4'-dimethyl- (8CI)
| Molecular Formula | C14H10O4 |
|---|---|
| Molecular Weight | 242.06 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.0579 |
| Heavy Atoms | 18 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 4388-07-2 |
|---|---|
| SMILES | CC1=CC(=O)C(=O)C=C1C2=CC(=O)C(=O)C=C2C |
| InChIKey | BWZTUXCLGZTTAB-UHFFFAOYSA-N |
Product Overview
5,5'-Bi-p-toluquinone (CAS 4388-07-2), with molecular formula C14H10O4 and molecular weight 242.06 g/mol. IUPAC: 4-methyl-5-(6-methyl-3,4-dioxocyclohexa-1,5-dien-1-yl)cyclohexa-3,5-diene-1,2-dione.
Chemical Property Profile of 5,5'-Bi-p-toluquinone
Property Insights of 5,5'-Bi-p-toluquinone
The XLogP value of -0.6 indicates that 5,5'-Bi-p-toluquinone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5'-Bi-p-toluquinone. Following Lipinski's Rule of Five, 5,5'-Bi-p-toluquinone has 0 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 5,5'-Bi-p-toluquinone?
The CAS number of 5,5'-Bi-p-toluquinone is 4388-07-2.
What is the molecular formula of 5,5'-Bi-p-toluquinone?
The molecular formula of 5,5'-Bi-p-toluquinone is C14H10O4.
What is the molecular weight of 5,5'-Bi-p-toluquinone?
The molecular weight of 5,5'-Bi-p-toluquinone is 242.06 g/mol.
Where can I buy 5,5'-Bi-p-toluquinone?
You can request a quote for 5,5'-Bi-p-toluquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5'-Bi-p-toluquinone?
Yes, KEHONG BIO provides custom synthesis services for 5,5'-Bi-p-toluquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.