(6-Acetonyl-2-formyl-5-methoxy-9,10-dioxo-1-anthryl) acetate
TL;DR: (6-Acetonyl-2-formyl-5-methoxy-9,10-dioxo-1-anthryl) acetate (CAS 101417-99-6) is a chemical compound with molecular formula C21H16O7 and molecular weight 380.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-formyl-5-methoxy-9,10-dioxo-6-(2-oxopropyl)anthracen-1-yl] acetate
Also Known As: NCI60_009130, (6-acetonyl-2-formyl-5-methoxy-9,10-dioxo-1-anthryl) acetate, 2-Formyl-5-methoxy-9,10-dioxo-6-(2-oxopropyl)-9,10-dihydro-1-anthracenyl acetate, [2-formyl-5-methoxy-9,10-dioxo-6-(2-oxopropyl)anthracen-1-yl] acetate, 1-acetoxy-5-methoxy-9,10-dioxo-6-(2'-oxopropyl)-9,10-dihydroanthracene-2-carbaldehyde
| Molecular Formula | C21H16O7 |
|---|---|
| Molecular Weight | 380.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.0896 |
| Heavy Atoms | 28 |
| Complexity | 684.0 |
Chemical Identifiers
| CAS Number | 101417-99-6 |
|---|---|
| SMILES | CC(=O)CC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3OC(=O)C)C=O)OC |
| InChIKey | CRSVJZFTVSRTRS-UHFFFAOYSA-N |
Product Overview
(6-Acetonyl-2-formyl-5-methoxy-9,10-dioxo-1-anthryl) acetate (CAS 101417-99-6), with molecular formula C21H16O7 and molecular weight 380.09 g/mol. IUPAC: [2-formyl-5-methoxy-9,10-dioxo-6-(2-oxopropyl)anthracen-1-yl] acetate.
Chemical Property Profile of (6-Acetonyl-2-formyl-5-methoxy-9,10-dioxo-1-anthryl) acetate
Property Insights of (6-Acetonyl-2-formyl-5-methoxy-9,10-dioxo-1-anthryl) acetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-Acetonyl-2-formyl-5-methoxy-9,10-dioxo-1-anthryl) acetate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-Acetonyl-2-formyl-5-methoxy-9,10-dioxo-1-anthryl) acetate. Following Lipinski's Rule of Five, (6-Acetonyl-2-formyl-5-methoxy-9,10-dioxo-1-anthryl) acetate has 0 hydrogen bond donor(s) and 7 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 (6-Acetonyl-2-formyl-5-methoxy-9,10-dioxo-1-anthryl) acetate?
The CAS number of (6-Acetonyl-2-formyl-5-methoxy-9,10-dioxo-1-anthryl) acetate is 101417-99-6.
What is the molecular formula of (6-Acetonyl-2-formyl-5-methoxy-9,10-dioxo-1-anthryl) acetate?
The molecular formula of (6-Acetonyl-2-formyl-5-methoxy-9,10-dioxo-1-anthryl) acetate is C21H16O7.
What is the molecular weight of (6-Acetonyl-2-formyl-5-methoxy-9,10-dioxo-1-anthryl) acetate?
The molecular weight of (6-Acetonyl-2-formyl-5-methoxy-9,10-dioxo-1-anthryl) acetate is 380.09 g/mol.
Where can I buy (6-Acetonyl-2-formyl-5-methoxy-9,10-dioxo-1-anthryl) acetate?
You can request a quote for (6-Acetonyl-2-formyl-5-methoxy-9,10-dioxo-1-anthryl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-Acetonyl-2-formyl-5-methoxy-9,10-dioxo-1-anthryl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (6-Acetonyl-2-formyl-5-methoxy-9,10-dioxo-1-anthryl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.