2,2'-(2,5-Dihydroxy-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis(benzoic acid)
TL;DR: 2,2'-(2,5-Dihydroxy-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis(benzoic acid) (CAS 112553-96-5) is a chemical compound with molecular formula C20H12O8 and molecular weight 380.05322 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(2-carboxyphenyl)-2,5-dihydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl]benzoic acid
Also Known As: Benzoic acid, 2,2'-(2,5-dihydroxy-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis-, Benzoic acid, 2,2'-(3,6-dihydroxy-p-benzoquinon-2,5-ylene)di-, 2,2'-(2,5-Dihydroxy-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis(benzoic acid), Benzoic acid,2,2'-(3,6-dihydroxy-p-benzoquinon-2,5-ylene)di, 2-[4-(2-carboxyphenyl)-2,5-dihydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl]benzoic acid
Technical Specifications
| Molecular Formula | C20H12O8 |
| Molecular Weight | 380.05322 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 149.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.05322 Da |
| Heavy Atoms | 28 |
| Complexity | 724.0 |
| SMILES | C1=CC=C(C(=C1)C2=C(C(=O)C(=C(C2=O)O)C3=CC=CC=C3C(=O)O)O)C(=O)O |
| InChIKey | YUAMKWYYHCKCSD-UHFFFAOYSA-N |
Chemical Property Profile of 2,2'-(2,5-Dihydroxy-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis(benzoic acid)
Property Insights of 2,2'-(2,5-Dihydroxy-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis(benzoic acid)
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2'-(2,5-Dihydroxy-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis(benzoic acid). The TPSA of 149.0 Ų indicates high polarity, suggesting 2,2'-(2,5-Dihydroxy-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis(benzoic acid) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2'-(2,5-Dihydroxy-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis(benzoic acid) has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,2'-(2,5-Dihydroxy-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis(benzoic acid)?
The CAS number of 2,2'-(2,5-Dihydroxy-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis(benzoic acid) is 112553-96-5.
What is the molecular formula of 2,2'-(2,5-Dihydroxy-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis(benzoic acid)?
The molecular formula of 2,2'-(2,5-Dihydroxy-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis(benzoic acid) is C20H12O8.
What is the molecular weight of 2,2'-(2,5-Dihydroxy-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis(benzoic acid)?
The molecular weight of 2,2'-(2,5-Dihydroxy-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis(benzoic acid) is 380.05322 g/mol.
Where can I buy 2,2'-(2,5-Dihydroxy-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis(benzoic acid)?
You can request a quote for 2,2'-(2,5-Dihydroxy-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis(benzoic acid) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2'-(2,5-Dihydroxy-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis(benzoic acid)?
Yes, CoreyChem provides custom synthesis services for 2,2'-(2,5-Dihydroxy-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis(benzoic acid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.