CAS RN: 5034-21-9
4-Acetylcyclohexanone
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.20250303 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS5034-21-9
- Purity/Analytical Methods: >99.0%
5034-21-9 / 4-acetylcyclohexan-1-one
Basic Information
CAS
5034-21-9
Multi CAS
No
Molecular Formula
C8H12O2
Molecular Weight
140.180000
Exact Mass
140.083730
InChI
InChI=1S/C8H12O2/c1-6(9)7-2-4-8(10)5-3-7/h7H,2-5H2,1H3
InChIKey
LGJYVZNKQBEZGD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
37.65
TPSA
34.14
LogP / Solubility
WLOGP
1.33
MLOGP
1.17
XLogP3
0.1
Consensus LogP
0.87
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
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)
-2.63
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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- CAS RN: 5038-17-5
- Product Code: starshine_CAS5038-17-5
- Purity/Analytical method: >99.0%
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