10-Valeryl dithranol
TL;DR: 10-Valeryl dithranol (CAS 79317-30-9) is a chemical compound with molecular formula C19H18O4 and molecular weight 310.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8-dihydroxy-10-pentanoyl-10H-anthracen-9-one
Also Known As: 10-Valeryl dithranol, 10-valeryldithranol, Dithranol Impurity 1, 1,8-dihydroxy-10-pentanoylanthracen-9(10h)-one, 1,8-Dihydroxy-10-pentanoyl-10H-anthracen-9-one
| Molecular Formula | C19H18O4 |
|---|---|
| Molecular Weight | 310.12 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.1205 |
| Heavy Atoms | 23 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 79317-30-9 |
|---|---|
| SMILES | CCCCC(=O)C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O |
| InChIKey | UYKMGHUKSVDIFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
10-Valeryl dithranol (CAS 79317-30-9), with molecular formula C19H18O4 and molecular weight 310.12 g/mol. IUPAC: 1,8-dihydroxy-10-pentanoyl-10H-anthracen-9-one.
Chemical Property Profile of 10-Valeryl dithranol
Property Insights of 10-Valeryl dithranol
The XLogP value of 4.0 indicates that 10-Valeryl 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-Valeryl dithranol. Following Lipinski's Rule of Five, 10-Valeryl 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-Valeryl dithranol?
The CAS number of 10-Valeryl dithranol is 79317-30-9.
What is the molecular formula of 10-Valeryl dithranol?
The molecular formula of 10-Valeryl dithranol is C19H18O4.
What is the molecular weight of 10-Valeryl dithranol?
The molecular weight of 10-Valeryl dithranol is 310.12 g/mol.
Where can I buy 10-Valeryl dithranol?
You can request a quote for 10-Valeryl dithranol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-Valeryl dithranol?
Yes, KEHONG BIO provides custom synthesis services for 10-Valeryl dithranol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.