CAS RN: 65907-75-7
2-(1-Methyl-2-hydroxyethyl)-3-hydroxy-8-methylphenanthrene-1,4-dione
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251201 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS65907-75-7
- Purity/Analytical Methods: >99.0%
65907-75-7 / 1-hydroxy-2-(1-hydroxypropan-2-yl)-8-methylphenanthrene-3,4-dione
Basic Information
CAS
65907-75-7
Multi CAS
No
Molecular Formula
C18H16O4
Molecular Weight
296.300000
Exact Mass
296.104859
InChI
InChI=1S/C18H16O4/c1-9-4-3-5-12-11(9)6-7-13-15(12)18(22)17(21)14(16(13)20)10(2)8-19/h3-7,10,19-20H,8H2,1-2H3
InChIKey
GRGPQNRHXNRJFL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
83.82
TPSA
74.6
LogP / Solubility
WLOGP
2.81
MLOGP
2.49
XLogP3
2.4
Consensus LogP
2.57
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly 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)
-2.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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