1,2,6-三羟基蒽醌
TL;DR: 1,2,6-三羟基蒽醌 (CAS 82-29-1) is a chemical compound with molecular formula C14H8O5 and molecular weight 256.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,6-三羟基蒽醌
1,2,6-trihydroxyanthracene-9,10-dione
Also Known As: Flavopurpurin, Alizarine Y, Alizarine Red YCAP, C.I. Mordant Red 4, 1,2,6-Trihydroxyanthraquinone
| Molecular Formula | C14H8O5 |
|---|---|
| Molecular Weight | 256.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 256.03717 |
| Heavy Atoms | 19 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 82-29-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1O)C(=O)C3=C(C2=O)C(=C(C=C3)O)O |
| InChIKey | QWPVOAUJFKGLQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,6-三羟基蒽醌 (CAS 82-29-1), with molecular formula C14H8O5 and molecular weight 256.04 g/mol. IUPAC: 1,2,6-trihydroxyanthracene-9,10-dione.
Chemical Property Profile of 1,2,6-三羟基蒽醌
Property Insights of 1,2,6-三羟基蒽醌
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,6-三羟基蒽醌. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,6-三羟基蒽醌. Following Lipinski's Rule of Five, 1,2,6-三羟基蒽醌 has 3 hydrogen bond donor(s) and 5 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 1,2,6-三羟基蒽醌?
The CAS number of 1,2,6-三羟基蒽醌 is 82-29-1.
What is the molecular formula of 1,2,6-三羟基蒽醌?
The molecular formula of 1,2,6-三羟基蒽醌 is C14H8O5.
What is the molecular weight of 1,2,6-三羟基蒽醌?
The molecular weight of 1,2,6-三羟基蒽醌 is 256.04 g/mol.
Where can I buy 1,2,6-三羟基蒽醌?
You can request a quote for 1,2,6-三羟基蒽醌 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,6-三羟基蒽醌?
Yes, KEHONG BIO provides custom synthesis services for 1,2,6-三羟基蒽醌 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.