CAS RN: 478-08-0
LUCIDIN
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250823 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS478-08-0
- Purity/Analytical Methods: >99.0%
478-08-0 / 1,3-dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione
Basic Information
CAS
478-08-0
Multi CAS
Yes
Molecular Formula
C15H10O5
Molecular Weight
270.240000
Exact Mass
270.052823
InChI
InChI=1S/C15H10O5/c16-6-10-11(17)5-9-12(15(10)20)14(19)8-4-2-1-3-7(8)13(9)18/h1-5,16-17,20H,6H2
InChIKey
AMIDUPFSOUCLQB-UHFFFAOYSA-N
Physical Properties
Melting Point
330 °C
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
3
Molar refractivity
69
TPSA
94.83
LogP / Solubility
WLOGP
1.37
MLOGP
1.21
XLogP3
2.4
Consensus LogP
1.66
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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