CAS RN: 17241-40-6
2-Hydroxy-3-methylanthraquine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250626 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS17241-40-6
- Purity/Analytical Methods: >99.0%
17241-40-6 / 2-hydroxy-3-methylanthracene-9,10-dione
Basic Information
CAS
17241-40-6
Multi CAS
No
Molecular Formula
C15H10O3
Molecular Weight
238.240000
Exact Mass
238.062994
SMILES
CC1=CC2=C(C=C1O)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C15H10O3/c1-8-6-11-12(7-13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7,16H,1H3
InChIKey
RNJHIYAJJKOFIO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.15
TPSA
54.37
LogP / Solubility
WLOGP
2.48
MLOGP
2.18
XLogP3
2.9
Consensus LogP
2.52
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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