1,3,8-Trihydroxy-6-methyl-9(10H)-anthracenone
TL;DR: 1,3,8-Trihydroxy-6-methyl-9(10H)-anthracenone (CAS 491-60-1) is a chemical compound with molecular formula C15H12O4 and molecular weight 256.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,8-trihydroxy-6-methyl-10H-anthracen-9-one
Also Known As: Emodin anthrone, Emodinanthrone, emodin-9-anthrone, Emodinanthranol, Emodinol
| Molecular Formula | C15H12O4 |
|---|---|
| Molecular Weight | 256.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 256.07355 |
| Heavy Atoms | 19 |
| Complexity | 369.0 |
| Melting Point | 250 - 258 °C |
Chemical Identifiers
| CAS Number | 491-60-1 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2)C=C(C=C3O)O |
| InChIKey | LAJSXCAVRQXZIO-UHFFFAOYSA-N |
Product Overview
1,3,8-Trihydroxy-6-methyl-9(10H)-anthracenone (CAS 491-60-1), with molecular formula C15H12O4 and molecular weight 256.07 g/mol. IUPAC: 1,3,8-trihydroxy-6-methyl-10H-anthracen-9-one.
Chemical Property Profile of 1,3,8-Trihydroxy-6-methyl-9(10H)-anthracenone
Property Insights of 1,3,8-Trihydroxy-6-methyl-9(10H)-anthracenone
The XLogP value of 3.2 indicates that 1,3,8-Trihydroxy-6-methyl-9(10H)-anthracenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,8-Trihydroxy-6-methyl-9(10H)-anthracenone. Following Lipinski's Rule of Five, 1,3,8-Trihydroxy-6-methyl-9(10H)-anthracenone has 3 hydrogen bond donor(s) and 4 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 1,3,8-Trihydroxy-6-methyl-9(10H)-anthracenone?
The CAS number of 1,3,8-Trihydroxy-6-methyl-9(10H)-anthracenone is 491-60-1.
What is the molecular formula of 1,3,8-Trihydroxy-6-methyl-9(10H)-anthracenone?
The molecular formula of 1,3,8-Trihydroxy-6-methyl-9(10H)-anthracenone is C15H12O4.
What is the molecular weight of 1,3,8-Trihydroxy-6-methyl-9(10H)-anthracenone?
The molecular weight of 1,3,8-Trihydroxy-6-methyl-9(10H)-anthracenone is 256.07 g/mol.
Where can I buy 1,3,8-Trihydroxy-6-methyl-9(10H)-anthracenone?
You can request a quote for 1,3,8-Trihydroxy-6-methyl-9(10H)-anthracenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,8-Trihydroxy-6-methyl-9(10H)-anthracenone?
Yes, KEHONG BIO provides custom synthesis services for 1,3,8-Trihydroxy-6-methyl-9(10H)-anthracenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.