羟基茜草素
TL;DR: 羟基茜草素 (CAS 81-54-9) 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.
羟基茜草素
1,2,4-trihydroxyanthracene-9,10-dione
Also Known As: PURPURIN, Verantin, Purpurine, Hydroxylizaric acid, Smoke Brown G
| Molecular Formula | C14H8O5 |
|---|---|
| Molecular Weight | 256.04 g/mol |
| LogP | 2.9 |
| 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 | 81-54-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)O)O |
| InChIKey | BBNQQADTFFCFGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
羟基茜草素 (CAS 81-54-9), with molecular formula C14H8O5 and molecular weight 256.04 g/mol. IUPAC: 1,2,4-trihydroxyanthracene-9,10-dione.
Chemical Property Profile of 羟基茜草素
Property Insights of 羟基茜草素
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 羟基茜草素. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 羟基茜草素. Following Lipinski's Rule of Five, 羟基茜草素 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 羟基茜草素?
The CAS number of 羟基茜草素 is 81-54-9.
What is the molecular formula of 羟基茜草素?
The molecular formula of 羟基茜草素 is C14H8O5.
What is the molecular weight of 羟基茜草素?
The molecular weight of 羟基茜草素 is 256.04 g/mol.
Where can I buy 羟基茜草素?
You can request a quote for 羟基茜草素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 羟基茜草素?
Yes, KEHONG BIO provides custom synthesis services for 羟基茜草素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.