大黄素甲醚
TL;DR: 大黄素甲醚 (CAS 521-61-9) is a chemical compound with molecular formula C16H12O5 and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
大黄素甲醚
1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione
Also Known As: Physcion, Physcione, Parietin, Rheochrysidin, Emodin 3-methyl ether
| Molecular Formula | C16H12O5 |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 284.06848 |
| Heavy Atoms | 21 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 521-61-9 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OC |
| InChIKey | FFWOKTFYGVYKIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
大黄素甲醚 (CAS 521-61-9), with molecular formula C16H12O5 and molecular weight 284.07 g/mol. IUPAC: 1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione.
Chemical Property Profile of 大黄素甲醚
Property Insights of 大黄素甲醚
The XLogP value of 3.0 indicates that 大黄素甲醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 大黄素甲醚. Following Lipinski's Rule of Five, 大黄素甲醚 has 2 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 大黄素甲醚?
The CAS number of 大黄素甲醚 is 521-61-9.
What is the molecular formula of 大黄素甲醚?
The molecular formula of 大黄素甲醚 is C16H12O5.
What is the molecular weight of 大黄素甲醚?
The molecular weight of 大黄素甲醚 is 284.07 g/mol.
Where can I buy 大黄素甲醚?
You can request a quote for 大黄素甲醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 大黄素甲醚?
Yes, KEHONG BIO provides custom synthesis services for 大黄素甲醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.