10-Isobutyryl dithranol
TL;DR: 10-Isobutyryl dithranol (CAS 102768-28-5) is a chemical compound with molecular formula C18H16O4 and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8-dihydroxy-10-(2-methylpropanoyl)-10H-anthracen-9-one
Also Known As: 10-Isobutyryl dithranol, Dithranol Impurity 5, 1,8-dihydroxy-10-(2-methylpropanoyl)-10H-anthracen-9-one, 1,8-dihydroxy-10-(2-methylpropanoyl)anthracen-9(10H)-one, 9(10H)-Anthracenone,1,8-dihydroxy-10-(2-methyl-1-oxopropyl)
| Molecular Formula | C18H16O4 |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.10486 |
| Heavy Atoms | 22 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 102768-28-5 |
|---|---|
| SMILES | CC(C)C(=O)C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O |
| InChIKey | SUJSJBSFBVHOPA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
10-Isobutyryl dithranol (CAS 102768-28-5), with molecular formula C18H16O4 and molecular weight 296.10 g/mol. IUPAC: 1,8-dihydroxy-10-(2-methylpropanoyl)-10H-anthracen-9-one.
Chemical Property Profile of 10-Isobutyryl dithranol
Property Insights of 10-Isobutyryl dithranol
The XLogP value of 3.6 indicates that 10-Isobutyryl dithranol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-Isobutyryl dithranol. Following Lipinski's Rule of Five, 10-Isobutyryl dithranol has 2 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 10-Isobutyryl dithranol?
The CAS number of 10-Isobutyryl dithranol is 102768-28-5.
What is the molecular formula of 10-Isobutyryl dithranol?
The molecular formula of 10-Isobutyryl dithranol is C18H16O4.
What is the molecular weight of 10-Isobutyryl dithranol?
The molecular weight of 10-Isobutyryl dithranol is 296.10 g/mol.
Where can I buy 10-Isobutyryl dithranol?
You can request a quote for 10-Isobutyryl dithranol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-Isobutyryl dithranol?
Yes, KEHONG BIO provides custom synthesis services for 10-Isobutyryl dithranol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.