p-Benzoquinone, 2-(hydroxymethyl)-5-methyl-, acetate (ester)
TL;DR: p-Benzoquinone, 2-(hydroxymethyl)-5-methyl-, acetate (ester) (CAS 32185-60-7) is a chemical compound with molecular formula C10H10O4 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl acetate
Also Known As: 2-Methyl-5-(acetoxymethyl)-p-benzoquinone, 5-Methyl-2-acetoxymethyl-p-benzoquinone, p-Benzoquinone, 2-(hydroxymethyl)-5-methyl-, acetate (ester), 2-(Hydroxymethyl)-5-methyl-p-benzoquinone acetate (ester), (4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl acetate
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 32185-60-7 |
|---|---|
| SMILES | CC1=CC(=O)C(=CC1=O)COC(=O)C |
| InChIKey | NMNOERWGRHTHSQ-UHFFFAOYSA-N |
Product Overview
p-Benzoquinone, 2-(hydroxymethyl)-5-methyl-, acetate (ester) (CAS 32185-60-7), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: (4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl acetate.
Chemical Property Profile of p-Benzoquinone, 2-(hydroxymethyl)-5-methyl-, acetate (ester)
Property Insights of p-Benzoquinone, 2-(hydroxymethyl)-5-methyl-, acetate (ester)
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Benzoquinone, 2-(hydroxymethyl)-5-methyl-, acetate (ester). The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Benzoquinone, 2-(hydroxymethyl)-5-methyl-, acetate (ester). Following Lipinski's Rule of Five, p-Benzoquinone, 2-(hydroxymethyl)-5-methyl-, acetate (ester) has 0 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 p-Benzoquinone, 2-(hydroxymethyl)-5-methyl-, acetate (ester)?
The CAS number of p-Benzoquinone, 2-(hydroxymethyl)-5-methyl-, acetate (ester) is 32185-60-7.
What is the molecular formula of p-Benzoquinone, 2-(hydroxymethyl)-5-methyl-, acetate (ester)?
The molecular formula of p-Benzoquinone, 2-(hydroxymethyl)-5-methyl-, acetate (ester) is C10H10O4.
What is the molecular weight of p-Benzoquinone, 2-(hydroxymethyl)-5-methyl-, acetate (ester)?
The molecular weight of p-Benzoquinone, 2-(hydroxymethyl)-5-methyl-, acetate (ester) is 194.06 g/mol.
Where can I buy p-Benzoquinone, 2-(hydroxymethyl)-5-methyl-, acetate (ester)?
You can request a quote for p-Benzoquinone, 2-(hydroxymethyl)-5-methyl-, acetate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Benzoquinone, 2-(hydroxymethyl)-5-methyl-, acetate (ester)?
Yes, KEHONG BIO provides custom synthesis services for p-Benzoquinone, 2-(hydroxymethyl)-5-methyl-, acetate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.