茜素
TL;DR: 茜素 (CAS 72-48-0) is a chemical compound with molecular formula C14H8O4 and molecular weight 240.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
茜素
1,2-dihydroxyanthracene-9,10-dione
Also Known As: Alizarin, Alizarin Red, Mordant Red 11, Turkey Red, 1,2-Dihydroxyanthraquinone
| Molecular Formula | C14H8O4 |
|---|---|
| Molecular Weight | 240.04 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 240.04225 |
| Heavy Atoms | 18 |
| Complexity | 378.0 |
| Melting Point | 289 °C |
| Boiling Point | 430 °C @760 [mm Hg] |
| Density | 1.54 @ 20°C |
Chemical Identifiers
| CAS Number | 72-48-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)O |
| InChIKey | RGCKGOZRHPZPFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
茜素 (CAS 72-48-0), with molecular formula C14H8O4 and molecular weight 240.04 g/mol. IUPAC: 1,2-dihydroxyanthracene-9,10-dione.
Chemical Property Profile of 茜素
Property Insights of 茜素
The XLogP value of 3.2 indicates that 茜素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 茜素. Following Lipinski's Rule of Five, 茜素 has 2 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 茜素?
The CAS number of 茜素 is 72-48-0.
What is the molecular formula of 茜素?
The molecular formula of 茜素 is C14H8O4.
What is the molecular weight of 茜素?
The molecular weight of 茜素 is 240.04 g/mol.
Where can I buy 茜素?
You can request a quote for 茜素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 茜素?
Yes, KEHONG BIO provides custom synthesis services for 茜素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.