9-Acetyl-1,7,8-anthracenetriol
TL;DR: 9-Acetyl-1,7,8-anthracenetriol (CAS 73637-16-8) is a chemical compound with molecular formula C16H12O4 and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,2,8-trihydroxyanthracen-9-yl)ethanone
Also Known As: 10-Acetylanthralin, 9-Acetyl-1,7,8-anthracenetriol, 10-Acetyl-1,8,9-anthracenetriol, 1,8-Dihydroxy-10-acetyl-9-anthrone, 1,7,8-ANTHRACENETRIOL, 9-ACETYL-
| Molecular Formula | C16H12O4 |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.07355 |
| Heavy Atoms | 20 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 73637-16-8 |
|---|---|
| SMILES | CC(=O)C1=C2C(=CC3=C1C(=C(C=C3)O)O)C=CC=C2O |
| InChIKey | DPMKTCIVEBLMCB-UHFFFAOYSA-N |
Product Overview
9-Acetyl-1,7,8-anthracenetriol (CAS 73637-16-8), with molecular formula C16H12O4 and molecular weight 268.07 g/mol. IUPAC: 1-(1,2,8-trihydroxyanthracen-9-yl)ethanone.
Chemical Property Profile of 9-Acetyl-1,7,8-anthracenetriol
Property Insights of 9-Acetyl-1,7,8-anthracenetriol
The XLogP value of 3.0 indicates that 9-Acetyl-1,7,8-anthracenetriol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Acetyl-1,7,8-anthracenetriol. Following Lipinski's Rule of Five, 9-Acetyl-1,7,8-anthracenetriol has 3 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 9-Acetyl-1,7,8-anthracenetriol?
The CAS number of 9-Acetyl-1,7,8-anthracenetriol is 73637-16-8.
What is the molecular formula of 9-Acetyl-1,7,8-anthracenetriol?
The molecular formula of 9-Acetyl-1,7,8-anthracenetriol is C16H12O4.
What is the molecular weight of 9-Acetyl-1,7,8-anthracenetriol?
The molecular weight of 9-Acetyl-1,7,8-anthracenetriol is 268.07 g/mol.
Where can I buy 9-Acetyl-1,7,8-anthracenetriol?
You can request a quote for 9-Acetyl-1,7,8-anthracenetriol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Acetyl-1,7,8-anthracenetriol?
Yes, KEHONG BIO provides custom synthesis services for 9-Acetyl-1,7,8-anthracenetriol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.