2-Chloro-1,3,8-trihydroxy-6-methyl-9,10-anthracenedione
TL;DR: 2-Chloro-1,3,8-trihydroxy-6-methyl-9,10-anthracenedione (CAS 18521-72-7) is a chemical compound with molecular formula C15H9ClO5 and molecular weight 304.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1,3,8-trihydroxy-6-methylanthracene-9,10-dione
Also Known As: 7-Chloroemodin, 2-Chloroemodin, 2-Chloro-1,3,8-trihydroxy-6-methylanthraquinone, 2-chloro-1,3,8-trihydroxy-6-methylanthracene-9,10-dione, 9,10-Anthracenedione, 2-chloro-1,3,8-trihydroxy-6-methyl-
| Molecular Formula | C15H9ClO5 |
|---|---|
| Molecular Weight | 304.01 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 304.01385 |
| Heavy Atoms | 21 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 18521-72-7 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C(=C(C=C3C2=O)O)Cl)O |
| InChIKey | AVSZOSVPTLSHOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-1,3,8-trihydroxy-6-methyl-9,10-anthracenedione (CAS 18521-72-7), with molecular formula C15H9ClO5 and molecular weight 304.01 g/mol. IUPAC: 2-chloro-1,3,8-trihydroxy-6-methylanthracene-9,10-dione.
Chemical Property Profile of 2-Chloro-1,3,8-trihydroxy-6-methyl-9,10-anthracenedione
Property Insights of 2-Chloro-1,3,8-trihydroxy-6-methyl-9,10-anthracenedione
The XLogP value of 3.3 indicates that 2-Chloro-1,3,8-trihydroxy-6-methyl-9,10-anthracenedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-1,3,8-trihydroxy-6-methyl-9,10-anthracenedione. Following Lipinski's Rule of Five, 2-Chloro-1,3,8-trihydroxy-6-methyl-9,10-anthracenedione 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 2-Chloro-1,3,8-trihydroxy-6-methyl-9,10-anthracenedione?
The CAS number of 2-Chloro-1,3,8-trihydroxy-6-methyl-9,10-anthracenedione is 18521-72-7.
What is the molecular formula of 2-Chloro-1,3,8-trihydroxy-6-methyl-9,10-anthracenedione?
The molecular formula of 2-Chloro-1,3,8-trihydroxy-6-methyl-9,10-anthracenedione is C15H9ClO5.
What is the molecular weight of 2-Chloro-1,3,8-trihydroxy-6-methyl-9,10-anthracenedione?
The molecular weight of 2-Chloro-1,3,8-trihydroxy-6-methyl-9,10-anthracenedione is 304.01 g/mol.
Where can I buy 2-Chloro-1,3,8-trihydroxy-6-methyl-9,10-anthracenedione?
You can request a quote for 2-Chloro-1,3,8-trihydroxy-6-methyl-9,10-anthracenedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1,3,8-trihydroxy-6-methyl-9,10-anthracenedione?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1,3,8-trihydroxy-6-methyl-9,10-anthracenedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.