9,10-Dioxo-1,4,4a,9,9a,10-hexahydroanthracene-1,5-diyl diacetate
TL;DR: 9,10-Dioxo-1,4,4a,9,9a,10-hexahydroanthracene-1,5-diyl diacetate (CAS 3451-19-2) is a chemical compound with molecular formula C18H16O6 and molecular weight 328.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-acetyloxy-9,10-dioxo-1,4,4a,9a-tetrahydroanthracen-1-yl) acetate
Also Known As: 9,10-dioxo-1,4,4a,9,9a,10-hexahydroanthracene-1,5-diyl diacetate, (5-acetyloxy-9,10-dioxo-1,4,4a,9a-tetrahydroanthracen-1-yl) acetate
| Molecular Formula | C18H16O6 |
|---|---|
| Molecular Weight | 328.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.0947 |
| Heavy Atoms | 24 |
| Complexity | 607.0 |
Chemical Identifiers
| CAS Number | 3451-19-2 |
|---|---|
| SMILES | CC(=O)OC1C=CCC2C1C(=O)C3=C(C2=O)C(=CC=C3)OC(=O)C |
| InChIKey | NPMJTXFWZBYDJF-UHFFFAOYSA-N |
Product Overview
9,10-Dioxo-1,4,4a,9,9a,10-hexahydroanthracene-1,5-diyl diacetate (CAS 3451-19-2), with molecular formula C18H16O6 and molecular weight 328.09 g/mol. IUPAC: (5-acetyloxy-9,10-dioxo-1,4,4a,9a-tetrahydroanthracen-1-yl) acetate.
Chemical Property Profile of 9,10-Dioxo-1,4,4a,9,9a,10-hexahydroanthracene-1,5-diyl diacetate
Property Insights of 9,10-Dioxo-1,4,4a,9,9a,10-hexahydroanthracene-1,5-diyl diacetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9,10-Dioxo-1,4,4a,9,9a,10-hexahydroanthracene-1,5-diyl diacetate. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,10-Dioxo-1,4,4a,9,9a,10-hexahydroanthracene-1,5-diyl diacetate. Following Lipinski's Rule of Five, 9,10-Dioxo-1,4,4a,9,9a,10-hexahydroanthracene-1,5-diyl diacetate has 0 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 9,10-Dioxo-1,4,4a,9,9a,10-hexahydroanthracene-1,5-diyl diacetate?
The CAS number of 9,10-Dioxo-1,4,4a,9,9a,10-hexahydroanthracene-1,5-diyl diacetate is 3451-19-2.
What is the molecular formula of 9,10-Dioxo-1,4,4a,9,9a,10-hexahydroanthracene-1,5-diyl diacetate?
The molecular formula of 9,10-Dioxo-1,4,4a,9,9a,10-hexahydroanthracene-1,5-diyl diacetate is C18H16O6.
What is the molecular weight of 9,10-Dioxo-1,4,4a,9,9a,10-hexahydroanthracene-1,5-diyl diacetate?
The molecular weight of 9,10-Dioxo-1,4,4a,9,9a,10-hexahydroanthracene-1,5-diyl diacetate is 328.09 g/mol.
Where can I buy 9,10-Dioxo-1,4,4a,9,9a,10-hexahydroanthracene-1,5-diyl diacetate?
You can request a quote for 9,10-Dioxo-1,4,4a,9,9a,10-hexahydroanthracene-1,5-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-Dioxo-1,4,4a,9,9a,10-hexahydroanthracene-1,5-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Dioxo-1,4,4a,9,9a,10-hexahydroanthracene-1,5-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.