蘆薈大黃素
TL;DR: 蘆薈大黃素 (CAS 481-72-1) 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.
蘆薈大黃素
1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione
Also Known As: Aloe-emodin, Aloe emodin, Aloeemodin, Rhabarberone, Aloe-emodine
| Molecular Formula | C15H10O5 |
|---|---|
| Molecular Weight | 270.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.05283 |
| Heavy Atoms | 20 |
| Complexity | 420.0 |
| Melting Point | 221 - 223 °C |
Chemical Identifiers
| CAS Number | 481-72-1 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)CO |
| InChIKey | YDQWDHRMZQUTBA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
蘆薈大黃素 (CAS 481-72-1), with molecular formula C15H10O5 and molecular weight 270.05 g/mol. IUPAC: 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione.
Chemical Property Profile of 蘆薈大黃素
Property Insights of 蘆薈大黃素
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 蘆薈大黃素. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 蘆薈大黃素. Following Lipinski's Rule of Five, 蘆薈大黃素 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 蘆薈大黃素?
The CAS number of 蘆薈大黃素 is 481-72-1.
What is the molecular formula of 蘆薈大黃素?
The molecular formula of 蘆薈大黃素 is C15H10O5.
What is the molecular weight of 蘆薈大黃素?
The molecular weight of 蘆薈大黃素 is 270.05 g/mol.
Where can I buy 蘆薈大黃素?
You can request a quote for 蘆薈大黃素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 蘆薈大黃素?
Yes, KEHONG BIO provides custom synthesis services for 蘆薈大黃素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.