2-(Acetoxymethyl)-1,3-dihydroxyanthraquinone
TL;DR: 2-(Acetoxymethyl)-1,3-dihydroxyanthraquinone (CAS 94574-56-8) is a chemical compound with molecular formula C17H12O6 and molecular weight 312.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dihydroxy-9,10-dioxoanthracen-2-yl)methyl acetate
Also Known As: 2-(Acetoxymethyl)-1,3-dihydroxyanthraquinone, 2-Acetoxy-methyl-1,3-dihydroxyanthraquinone, (1,3-dihydroxy-9,10-dioxoanthracen-2-yl)methyl acetate, Thymidine-8-methoxypsoralen tetramethylethylene diadduct, (1,3-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl acetate
| Molecular Formula | C17H12O6 |
|---|---|
| Molecular Weight | 312.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.0634 |
| Heavy Atoms | 23 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 94574-56-8 |
|---|---|
| SMILES | CC(=O)OCC1=C(C=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O |
| InChIKey | BHVOCSPSCBKPRA-UHFFFAOYSA-N |
Product Overview
2-(Acetoxymethyl)-1,3-dihydroxyanthraquinone (CAS 94574-56-8), with molecular formula C17H12O6 and molecular weight 312.06 g/mol. IUPAC: (1,3-dihydroxy-9,10-dioxoanthracen-2-yl)methyl acetate.
Chemical Property Profile of 2-(Acetoxymethyl)-1,3-dihydroxyanthraquinone
Property Insights of 2-(Acetoxymethyl)-1,3-dihydroxyanthraquinone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Acetoxymethyl)-1,3-dihydroxyanthraquinone. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Acetoxymethyl)-1,3-dihydroxyanthraquinone. Following Lipinski's Rule of Five, 2-(Acetoxymethyl)-1,3-dihydroxyanthraquinone has 2 hydrogen bond donor(s) and 6 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-(Acetoxymethyl)-1,3-dihydroxyanthraquinone?
The CAS number of 2-(Acetoxymethyl)-1,3-dihydroxyanthraquinone is 94574-56-8.
What is the molecular formula of 2-(Acetoxymethyl)-1,3-dihydroxyanthraquinone?
The molecular formula of 2-(Acetoxymethyl)-1,3-dihydroxyanthraquinone is C17H12O6.
What is the molecular weight of 2-(Acetoxymethyl)-1,3-dihydroxyanthraquinone?
The molecular weight of 2-(Acetoxymethyl)-1,3-dihydroxyanthraquinone is 312.06 g/mol.
Where can I buy 2-(Acetoxymethyl)-1,3-dihydroxyanthraquinone?
You can request a quote for 2-(Acetoxymethyl)-1,3-dihydroxyanthraquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Acetoxymethyl)-1,3-dihydroxyanthraquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-(Acetoxymethyl)-1,3-dihydroxyanthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.