4,6-Diacetylresorcinol
TL;DR: 4,6-Diacetylresorcinol (CAS 2161-85-5) 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.
1-(5-acetyl-2,4-dihydroxyphenyl)ethanone
Also Known As: 4,6-Diacetylresorcinol, resodiacetophenone, 1,1'-(4,6-Dihydroxy-1,3-phenylene)diethanone, 1-(5-acetyl-2,4-dihydroxyphenyl)ethanone, 4,6-Diacetyl resorcinol
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 2161-85-5 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1O)O)C(=O)C |
| InChIKey | GEYCQLIOGQPPFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,6-Diacetylresorcinol (CAS 2161-85-5), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: 1-(5-acetyl-2,4-dihydroxyphenyl)ethanone.
Chemical Property Profile of 4,6-Diacetylresorcinol
Property Insights of 4,6-Diacetylresorcinol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Diacetylresorcinol. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Diacetylresorcinol. Following Lipinski's Rule of Five, 4,6-Diacetylresorcinol has 2 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 4,6-Diacetylresorcinol?
The CAS number of 4,6-Diacetylresorcinol is 2161-85-5.
What is the molecular formula of 4,6-Diacetylresorcinol?
The molecular formula of 4,6-Diacetylresorcinol is C10H10O4.
What is the molecular weight of 4,6-Diacetylresorcinol?
The molecular weight of 4,6-Diacetylresorcinol is 194.06 g/mol.
Where can I buy 4,6-Diacetylresorcinol?
You can request a quote for 4,6-Diacetylresorcinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Diacetylresorcinol?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Diacetylresorcinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.