CAS RN: 605-93-6
6-METHYL-1,4-NAPHTHOQUINONE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250411 | 100mg / 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong, Guangdong | Inquiry |
- Product code: starshine_CAS605-93-6
- Purity/Analytical Methods: >99.0%
605-93-6 / 6-methylnaphthalene-1,4-dione
Basic Information
CAS
605-93-6
Multi CAS
No
Molecular Formula
C11H8O2
Molecular Weight
172.180000
Exact Mass
172.052429
InChI
InChI=1S/C11H8O2/c1-7-2-3-8-9(6-7)11(13)5-4-10(8)12/h2-6H,1H3
InChIKey
OPKFWRVRCVCMJH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.09
H-bond acceptors
2
Molar refractivity
48.98
TPSA
34.14
LogP / Solubility
WLOGP
1.93
MLOGP
1.7
XLogP3
2.1
Consensus LogP
1.91
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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