六角酸
TL;DR: 六角酸 (CAS 118-76-3) is a chemical compound with molecular formula C6H2O6 and molecular weight 169.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
六角酸
5,6-dihydroxycyclohex-5-ene-1,2,3,4-tetrone
Also Known As: Rhodizonic acid, dihydroxydiquinoyl, dioxydiquinone, Rhodizonsaure, Rhodizonic acid dihydrate
| Molecular Formula | C6H2O6 |
|---|---|
| Molecular Weight | 169.99 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 169.98514 |
| Heavy Atoms | 12 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 118-76-3 |
|---|---|
| SMILES | C1(=C(C(=O)C(=O)C(=O)C1=O)O)O |
| InChIKey | WCJLIWFWHPOTAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
六角酸 (CAS 118-76-3), with molecular formula C6H2O6 and molecular weight 169.99 g/mol. IUPAC: 5,6-dihydroxycyclohex-5-ene-1,2,3,4-tetrone.
Chemical Property Profile of 六角酸
Property Insights of 六角酸
The XLogP value of -1.0 indicates that 六角酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 六角酸. Following Lipinski's Rule of Five, 六角酸 has 2 hydrogen bond donor(s) and 6 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 六角酸?
The CAS number of 六角酸 is 118-76-3.
What is the molecular formula of 六角酸?
The molecular formula of 六角酸 is C6H2O6.
What is the molecular weight of 六角酸?
The molecular weight of 六角酸 is 169.99 g/mol.
Where can I buy 六角酸?
You can request a quote for 六角酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 六角酸?
Yes, KEHONG BIO provides custom synthesis services for 六角酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.