2-(Hydroxymethyl)-5-methoxy-2,5-cyclohexadiene-1,4-dione
TL;DR: 2-(Hydroxymethyl)-5-methoxy-2,5-cyclohexadiene-1,4-dione (CAS 50827-56-0) 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)-5-methoxycyclohexa-2,5-diene-1,4-dione
Also Known As: p-Benzoquinone, 1-methoxy-5-hydroxymethyl, 2-(hydroxymethyl)-5-methoxycyclohexa-2,5-diene-1,4-dione, 2,5-Cyclohexadiene-1,4-dione, 2-(hydroxymethyl)-5-methoxy-, 2-(hydroxymethyl)-5-methoxy-1,4-benzoquinone, 2-(Hydroxymethyl)-5-methoxybenzo-1,4-quinone
| Molecular Formula | C8H8O4 |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | -0.1 |
| 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 | 50827-56-0 |
|---|---|
| SMILES | COC1=CC(=O)C(=CC1=O)CO |
| InChIKey | KTTQYVYUXZOVEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Hydroxymethyl)-5-methoxy-2,5-cyclohexadiene-1,4-dione (CAS 50827-56-0), with molecular formula C8H8O4 and molecular weight 168.04 g/mol. IUPAC: 2-(hydroxymethyl)-5-methoxycyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2-(Hydroxymethyl)-5-methoxy-2,5-cyclohexadiene-1,4-dione
Property Insights of 2-(Hydroxymethyl)-5-methoxy-2,5-cyclohexadiene-1,4-dione
The XLogP value of -0.1 indicates that 2-(Hydroxymethyl)-5-methoxy-2,5-cyclohexadiene-1,4-dione 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)-5-methoxy-2,5-cyclohexadiene-1,4-dione. Following Lipinski's Rule of Five, 2-(Hydroxymethyl)-5-methoxy-2,5-cyclohexadiene-1,4-dione 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)-5-methoxy-2,5-cyclohexadiene-1,4-dione?
The CAS number of 2-(Hydroxymethyl)-5-methoxy-2,5-cyclohexadiene-1,4-dione is 50827-56-0.
What is the molecular formula of 2-(Hydroxymethyl)-5-methoxy-2,5-cyclohexadiene-1,4-dione?
The molecular formula of 2-(Hydroxymethyl)-5-methoxy-2,5-cyclohexadiene-1,4-dione is C8H8O4.
What is the molecular weight of 2-(Hydroxymethyl)-5-methoxy-2,5-cyclohexadiene-1,4-dione?
The molecular weight of 2-(Hydroxymethyl)-5-methoxy-2,5-cyclohexadiene-1,4-dione is 168.04 g/mol.
Where can I buy 2-(Hydroxymethyl)-5-methoxy-2,5-cyclohexadiene-1,4-dione?
You can request a quote for 2-(Hydroxymethyl)-5-methoxy-2,5-cyclohexadiene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Hydroxymethyl)-5-methoxy-2,5-cyclohexadiene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(Hydroxymethyl)-5-methoxy-2,5-cyclohexadiene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.