Yerrinquinone
TL;DR: Yerrinquinone (CAS 129308-67-4) is a chemical compound with molecular formula C14H12O7 and molecular weight 292.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-hydroxy-1,6-dimethoxy-5,8-dioxonaphthalene-2-carboxylate
Also Known As: Yerrinquinone, methyl 4-hydroxy-1,6-dimethoxy-5,8-dioxonaphthalene-2-carboxylate, Methyl 4-hydroxy-1,6-dimethoxy-5,8-dioxo-5,8-dihydro-2-naphthalenecarboxylate #, Methyl 4-hydroxy-1,6-dimethoxy-5,8-dioxo-5,8-dihydronaphthalene-2-carboxylic acid, RefChem:195629
| Molecular Formula | C14H12O7 |
|---|---|
| Molecular Weight | 292.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.0583 |
| Heavy Atoms | 21 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 129308-67-4 |
|---|---|
| SMILES | COC1=CC(=O)C2=C(C(=CC(=C2C1=O)O)C(=O)OC)OC |
| InChIKey | IQNNCIUGIWEXCC-UHFFFAOYSA-N |
Product Overview
Yerrinquinone (CAS 129308-67-4), with molecular formula C14H12O7 and molecular weight 292.06 g/mol. IUPAC: methyl 4-hydroxy-1,6-dimethoxy-5,8-dioxonaphthalene-2-carboxylate.
Chemical Property Profile of Yerrinquinone
Property Insights of Yerrinquinone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Yerrinquinone. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Yerrinquinone. Following Lipinski's Rule of Five, Yerrinquinone 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 Yerrinquinone?
The CAS number of Yerrinquinone is 129308-67-4.
What is the molecular formula of Yerrinquinone?
The molecular formula of Yerrinquinone is C14H12O7.
What is the molecular weight of Yerrinquinone?
The molecular weight of Yerrinquinone is 292.06 g/mol.
Where can I buy Yerrinquinone?
You can request a quote for Yerrinquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Yerrinquinone?
Yes, KEHONG BIO provides custom synthesis services for Yerrinquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.