Dithranol 1,8-diacetate
TL;DR: Dithranol 1,8-diacetate (CAS 51795-05-2) is a chemical compound with molecular formula C18H14O5 and molecular weight 310.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-acetyloxy-9-hydroxyanthracen-1-yl) acetate
Also Known As: Dithranol 1,8-diacetate, Dithranol Impurity 3, (8-acetyloxy-9-hydroxyanthracen-1-yl) acetate, 1,8,9-Anthracenetriol,1,8-diacetate, Anthracene, 1,8-diacetoxy-9-hydroxy-
| Molecular Formula | C18H14O5 |
|---|---|
| Molecular Weight | 310.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.08414 |
| Heavy Atoms | 23 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 51795-05-2 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC2=CC3=C(C(=CC=C3)OC(=O)C)C(=C21)O |
| InChIKey | VBRLBTHTFWJTRA-UHFFFAOYSA-N |
Product Overview
Dithranol 1,8-diacetate (CAS 51795-05-2), with molecular formula C18H14O5 and molecular weight 310.08 g/mol. IUPAC: (8-acetyloxy-9-hydroxyanthracen-1-yl) acetate.
Chemical Property Profile of Dithranol 1,8-diacetate
Property Insights of Dithranol 1,8-diacetate
The XLogP value of 3.6 indicates that Dithranol 1,8-diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Dithranol 1,8-diacetate. Following Lipinski's Rule of Five, Dithranol 1,8-diacetate has 1 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 Dithranol 1,8-diacetate?
The CAS number of Dithranol 1,8-diacetate is 51795-05-2.
What is the molecular formula of Dithranol 1,8-diacetate?
The molecular formula of Dithranol 1,8-diacetate is C18H14O5.
What is the molecular weight of Dithranol 1,8-diacetate?
The molecular weight of Dithranol 1,8-diacetate is 310.08 g/mol.
Where can I buy Dithranol 1,8-diacetate?
You can request a quote for Dithranol 1,8-diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dithranol 1,8-diacetate?
Yes, KEHONG BIO provides custom synthesis services for Dithranol 1,8-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.