2-Hydroxymethyl-6-methoxybenzoquinone
TL;DR: 2-Hydroxymethyl-6-methoxybenzoquinone (CAS 50827-57-1) is a chemical compound with molecular formula C8H8O4 and molecular weight 168.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethyl)-6-methoxycyclohexa-2,5-diene-1,4-dione
Also Known As: 2-Hydroxymethyl-6-methoxy-1,4-benzoquinone, 2-(hydroxymethyl)-6-methoxycyclohexa-2,5-diene-1,4-dione, 2-Hydroxymethyl-6-methoxybenzoquinone, 2-(hydroxymethyl)-6-methoxy-1,4-benzoquinone, 2,5-Cyclohexadiene-1,4-dione, 2-(hydroxymethyl)-6-methoxy-
| Molecular Formula | C8H8O4 |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.04225 |
| Heavy Atoms | 12 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 50827-57-1 |
|---|---|
| SMILES | COC1=CC(=O)C=C(C1=O)CO |
| InChIKey | PXEBZHWTQGYVCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hydroxymethyl-6-methoxybenzoquinone (CAS 50827-57-1), with molecular formula C8H8O4 and molecular weight 168.04 g/mol. IUPAC: 2-(hydroxymethyl)-6-methoxycyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2-Hydroxymethyl-6-methoxybenzoquinone
Property Insights of 2-Hydroxymethyl-6-methoxybenzoquinone
The XLogP value of -0.6 indicates that 2-Hydroxymethyl-6-methoxybenzoquinone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxymethyl-6-methoxybenzoquinone. Following Lipinski's Rule of Five, 2-Hydroxymethyl-6-methoxybenzoquinone has 1 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 2-Hydroxymethyl-6-methoxybenzoquinone?
The CAS number of 2-Hydroxymethyl-6-methoxybenzoquinone is 50827-57-1.
What is the molecular formula of 2-Hydroxymethyl-6-methoxybenzoquinone?
The molecular formula of 2-Hydroxymethyl-6-methoxybenzoquinone is C8H8O4.
What is the molecular weight of 2-Hydroxymethyl-6-methoxybenzoquinone?
The molecular weight of 2-Hydroxymethyl-6-methoxybenzoquinone is 168.04 g/mol.
Where can I buy 2-Hydroxymethyl-6-methoxybenzoquinone?
You can request a quote for 2-Hydroxymethyl-6-methoxybenzoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxymethyl-6-methoxybenzoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxymethyl-6-methoxybenzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.