6-(4,5-Dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-6-oxohexanoic acid
TL;DR: 6-(4,5-Dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-6-oxohexanoic acid (CAS 58185-91-4) is a chemical compound with molecular formula C15H18O7 and molecular weight 310.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-6-oxohexanoic acid
Also Known As: 6-(4,5-Dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-6-oxohexanoic acid, Benzenedecanoic acid,2-hydroxy-3,4-dimethoxy-6-methyl, 6-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-6-oxohexanoic acid, 1,4-CYCLOHEXADIENE-1-HEXANOIC ACID, 4,5-DIMETHOXY-2-METHYL-.EPSILON.,3,6-TRIOXO-, 4,5-DIMETHOXY-2-METHYL-.EPSILON.,3,6-TRIOXO-1,4-CYCLOHEXADIENE-1-HEXANOIC ACID
| Molecular Formula | C15H18O7 |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 310.10526 |
| Heavy Atoms | 22 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 58185-91-4 |
|---|---|
| SMILES | CC1=C(C(=O)C(=C(C1=O)OC)OC)C(=O)CCCCC(=O)O |
| InChIKey | NYCZXGXBAJEDRI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-(4,5-Dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-6-oxohexanoic acid (CAS 58185-91-4), with molecular formula C15H18O7 and molecular weight 310.11 g/mol. IUPAC: 6-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-6-oxohexanoic acid.
Chemical Property Profile of 6-(4,5-Dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-6-oxohexanoic acid
Property Insights of 6-(4,5-Dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-6-oxohexanoic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4,5-Dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-6-oxohexanoic acid. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4,5-Dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-6-oxohexanoic acid. Following Lipinski's Rule of Five, 6-(4,5-Dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-6-oxohexanoic acid has 1 hydrogen bond donor(s) and 7 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 6-(4,5-Dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-6-oxohexanoic acid?
The CAS number of 6-(4,5-Dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-6-oxohexanoic acid is 58185-91-4.
What is the molecular formula of 6-(4,5-Dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-6-oxohexanoic acid?
The molecular formula of 6-(4,5-Dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-6-oxohexanoic acid is C15H18O7.
What is the molecular weight of 6-(4,5-Dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-6-oxohexanoic acid?
The molecular weight of 6-(4,5-Dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-6-oxohexanoic acid is 310.11 g/mol.
Where can I buy 6-(4,5-Dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-6-oxohexanoic acid?
You can request a quote for 6-(4,5-Dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-6-oxohexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4,5-Dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-6-oxohexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-(4,5-Dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-6-oxohexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.