CAS RN: 68654-22-8
syn-(Methyl,methyl)bimane
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250225 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS68654-22-8
- Purity/Analytical Methods: >99.0%
68654-22-8 / 1,2,6,7-tetramethylpyrazolo[1,2-a]pyrazole-3,5-dione
Basic Information
CAS
68654-22-8
Multi CAS
Yes
Molecular Formula
C10H12N2O2
Molecular Weight
192.210000
Exact Mass
192.089878
InChI
InChI=1S/C10H12N2O2/c1-5-7(3)11-8(4)6(2)10(14)12(11)9(5)13/h1-4H3
InChIKey
VWKNUUOGGLNRNZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
8
Fraction Csp3
0.4
H-bond acceptors
4
Molar refractivity
53.52
TPSA
42.96
LogP / Solubility
WLOGP
0.43
MLOGP
0.38
XLogP3
1.2
Consensus LogP
0.67
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.27
Class (SILICOS-IT)
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)
-3.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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