大黄素
TL;DR: 大黄素 (CAS 518-82-1) is a chemical compound with molecular formula C15H10O5 and molecular weight 270.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
大黄素
1,3,8-trihydroxy-6-methylanthracene-9,10-dione
Also Known As: emodin, Emodol, Frangula emodin, Schuttgelb, Rheum emodin
| Molecular Formula | C15H10O5 |
|---|---|
| Molecular Weight | 270.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 270.05283 |
| Heavy Atoms | 20 |
| Complexity | 434.0 |
| Melting Point | 493 to 257.2 °C |
| Boiling Point | Sublimes |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 518-82-1 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O |
| InChIKey | RHMXXJGYXNZAPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
大黄素 (CAS 518-82-1), with molecular formula C15H10O5 and molecular weight 270.05 g/mol. IUPAC: 1,3,8-trihydroxy-6-methylanthracene-9,10-dione.
Chemical Property Profile of 大黄素
Property Insights of 大黄素
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 大黄素. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 大黄素. Following Lipinski's Rule of Five, EMODIN 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 EMODIN?
The CAS number of EMODIN is 518-82-1.
What is the molecular formula of EMODIN?
The molecular formula of EMODIN is C15H10O5.
What is the molecular weight of EMODIN?
The molecular weight of EMODIN is 270.05 g/mol.
Where can I buy EMODIN?
You can request a quote for EMODIN directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EMODIN?
Yes, KEHONG BIO provides custom synthesis services for EMODIN and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.