4-Hydroxymethyltoluquinone
TL;DR: 4-Hydroxymethyltoluquinone (CAS 40870-52-8) is a chemical compound with molecular formula C8H8O3 and molecular weight 152.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethyl)-5-methylcyclohexa-2,5-diene-1,4-dione
Also Known As: 4-Hydroxymethyltoluquinone, p-Benzoquinone, 2-(hydroxymethyl)-5-methyl-, 2-(hydroxymethyl)-5-methylcyclohexa-2,5-diene-1,4-dione, 2-(Hydroxymethyl)-5-methyl-p-benzoquinone, 2-hydroxymethyl-5-methyl-1,4-benzoquinone
| Molecular Formula | C8H8O3 |
|---|---|
| Molecular Weight | 152.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.04735 |
| Heavy Atoms | 11 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 40870-52-8 |
|---|---|
| SMILES | CC1=CC(=O)C(=CC1=O)CO |
| InChIKey | GMMPZMNGFXUDAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxymethyltoluquinone (CAS 40870-52-8), with molecular formula C8H8O3 and molecular weight 152.05 g/mol. IUPAC: 2-(hydroxymethyl)-5-methylcyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 4-Hydroxymethyltoluquinone
Property Insights of 4-Hydroxymethyltoluquinone
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxymethyltoluquinone. With a topological polar surface area (TPSA) of 54.4 Ų, 4-Hydroxymethyltoluquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxymethyltoluquinone has 1 hydrogen bond donor(s) and 3 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 4-Hydroxymethyltoluquinone?
The CAS number of 4-Hydroxymethyltoluquinone is 40870-52-8.
What is the molecular formula of 4-Hydroxymethyltoluquinone?
The molecular formula of 4-Hydroxymethyltoluquinone is C8H8O3.
What is the molecular weight of 4-Hydroxymethyltoluquinone?
The molecular weight of 4-Hydroxymethyltoluquinone is 152.05 g/mol.
Where can I buy 4-Hydroxymethyltoluquinone?
You can request a quote for 4-Hydroxymethyltoluquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxymethyltoluquinone?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxymethyltoluquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.