Fumaryldithranol
TL;DR: Fumaryldithranol (CAS 125379-01-3) is a chemical compound with molecular formula C18H12O6 and molecular weight 324.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)-4-oxobut-2-enoic acid
Also Known As: Fumaryldithranol, Fumaryl dithranol, (E)-4-(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)-4-oxobut-2-enoic acid, 2-Butenoic acid, 4-(9,10-dihydro-4,5-dihydroxy-10-oxo-9-anthracenyl)-4-oxo-, (E)-, 2-Butenoic acid,4-(9,10-dihydro-4,5-dihydroxy-10-oxo-9-anthracenyl)-4-oxo-,(E)
| Molecular Formula | C18H12O6 |
|---|---|
| Molecular Weight | 324.06 g/mol |
| LogP | 1.984 |
| Topological Polar Surface Area | 111.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.0634 |
| Heavy Atoms | 24 |
| Complexity | 854.22015 |
Chemical Identifiers
| CAS Number | 125379-01-3 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C(=O)/C=C/C(=O)O)C=CC=C3O |
Product Overview
Fumaryldithranol (CAS 125379-01-3), with molecular formula C18H12O6 and molecular weight 324.06 g/mol. IUPAC: (E)-4-(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)-4-oxobut-2-enoic acid.
Chemical Property Profile of Fumaryldithranol
Property Insights of Fumaryldithranol
The XLogP value of 1.984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Fumaryldithranol. The TPSA of 111.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Fumaryldithranol. Following Lipinski's Rule of Five, Fumaryldithranol 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 Fumaryldithranol?
The CAS number of Fumaryldithranol is 125379-01-3.
What is the molecular formula of Fumaryldithranol?
The molecular formula of Fumaryldithranol is C18H12O6.
What is the molecular weight of Fumaryldithranol?
The molecular weight of Fumaryldithranol is 324.06 g/mol.
Where can I buy Fumaryldithranol?
You can request a quote for Fumaryldithranol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fumaryldithranol?
Yes, KEHONG BIO provides custom synthesis services for Fumaryldithranol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.