1,3,6-Trihydroxy-8-propyl-9,10-anthracenedione
TL;DR: 1,3,6-Trihydroxy-8-propyl-9,10-anthracenedione (CAS 135161-96-5) is a chemical compound with molecular formula C17H14O5 and molecular weight 298.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,6-trihydroxy-8-propylanthracene-9,10-dione
Also Known As: 1,3,6-Trihydroxy-8-n-propylanthraquinone, 1,3,6-trihydroxy-8-propylanthracene-9,10-dione, R-1128A, KST-1B0712, 1,3,6-trihydroxy-8-propyl-9,10-anthraquinone
| Molecular Formula | C17H14O5 |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.08414 |
| Heavy Atoms | 22 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 135161-96-5 |
|---|---|
| SMILES | CCCC1=C2C(=CC(=C1)O)C(=O)C3=C(C2=O)C(=CC(=C3)O)O |
| InChIKey | JLGHVXJQLZFPRR-UHFFFAOYSA-N |
Product Overview
1,3,6-Trihydroxy-8-propyl-9,10-anthracenedione (CAS 135161-96-5), with molecular formula C17H14O5 and molecular weight 298.08 g/mol. IUPAC: 1,3,6-trihydroxy-8-propylanthracene-9,10-dione.
Chemical Property Profile of 1,3,6-Trihydroxy-8-propyl-9,10-anthracenedione
Property Insights of 1,3,6-Trihydroxy-8-propyl-9,10-anthracenedione
The XLogP value of 3.7 indicates that 1,3,6-Trihydroxy-8-propyl-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 1,3,6-Trihydroxy-8-propyl-9,10-anthracenedione. Following Lipinski's Rule of Five, 1,3,6-Trihydroxy-8-propyl-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 1,3,6-Trihydroxy-8-propyl-9,10-anthracenedione?
The CAS number of 1,3,6-Trihydroxy-8-propyl-9,10-anthracenedione is 135161-96-5.
What is the molecular formula of 1,3,6-Trihydroxy-8-propyl-9,10-anthracenedione?
The molecular formula of 1,3,6-Trihydroxy-8-propyl-9,10-anthracenedione is C17H14O5.
What is the molecular weight of 1,3,6-Trihydroxy-8-propyl-9,10-anthracenedione?
The molecular weight of 1,3,6-Trihydroxy-8-propyl-9,10-anthracenedione is 298.08 g/mol.
Where can I buy 1,3,6-Trihydroxy-8-propyl-9,10-anthracenedione?
You can request a quote for 1,3,6-Trihydroxy-8-propyl-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 1,3,6-Trihydroxy-8-propyl-9,10-anthracenedione?
Yes, KEHONG BIO provides custom synthesis services for 1,3,6-Trihydroxy-8-propyl-9,10-anthracenedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.