5-Acetyl Rhein
TL;DR: 5-Acetyl Rhein (CAS 875535-35-6) is a chemical compound with molecular formula C17H10O7 and molecular weight 326.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyloxy-4-hydroxy-9,10-dioxoanthracene-2-carboxylic acid
Also Known As: 5-Acetyl Rhein, Monoacerein, Diacerein EP Impurity D, Monoacerein (5-Acetyl Rhein), J3.291.690B
| Molecular Formula | C17H10O7 |
|---|---|
| Molecular Weight | 326.04 g/mol |
| LogP | 1.7911 |
| Topological Polar Surface Area | 117.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.04266 |
| Heavy Atoms | 24 |
| Complexity | 940.1955 |
Chemical Identifiers
| CAS Number | 875535-35-6 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC2=C1C(=O)C3=C(C2=O)C=C(C=C3O)C(=O)O |
Product Overview
5-Acetyl Rhein (CAS 875535-35-6), with molecular formula C17H10O7 and molecular weight 326.04 g/mol. IUPAC: 5-acetyloxy-4-hydroxy-9,10-dioxoanthracene-2-carboxylic acid.
Chemical Property Profile of 5-Acetyl Rhein
Property Insights of 5-Acetyl Rhein
The XLogP value of 1.7911 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl Rhein. The TPSA of 117.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetyl Rhein. Following Lipinski's Rule of Five, 5-Acetyl Rhein 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 5-Acetyl Rhein?
The CAS number of 5-Acetyl Rhein is 875535-35-6.
What is the molecular formula of 5-Acetyl Rhein?
The molecular formula of 5-Acetyl Rhein is C17H10O7.
What is the molecular weight of 5-Acetyl Rhein?
The molecular weight of 5-Acetyl Rhein is 326.04 g/mol.
Where can I buy 5-Acetyl Rhein?
You can request a quote for 5-Acetyl Rhein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetyl Rhein?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl Rhein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.