CAS RN: 579-21-5
2,2′-(1-Methyl-2,6-piperidinediyl)diacetophenon
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.20251009 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS579-21-5
- Purity/Analytical Methods: >99.0%
579-21-5 / 2-(1-methyl-6-phenacylpiperidin-2-yl)-1-phenylethanone
Basic Information
CAS
579-21-5
Multi CAS
Yes
Molecular Formula
C22H25NO2
Molecular Weight
335.400000
Exact Mass
335.188529
InChI
InChI=1S/C22H25NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-20H,8,13-16H2,1H3
InChIKey
IDEMKXUAULKYJV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
99.97
TPSA
37.38
LogP / Solubility
WLOGP
4.39
MLOGP
3.88
XLogP3
3.9
Consensus LogP
4.06
Log S (ESOL)
-4.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.2
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
ISOXSUPRINE HYDROCHLORIDE
- CAS RN: 579-56-6
- Product Code: starshine_CAS579-56-6
- Purity/Analytical method: >99.0%
-
N-Methyl-4′-hydroxyacetoanilide
- CAS RN: 579-58-8
- Product Code: starshine_CAS579-58-8
- Purity/Analytical method: >99.0%
-
-
O-EUGENOL
- CAS RN: 579-60-2
- Product Code: starshine_CAS579-60-2
- Purity/Analytical method: >99.0%
-
-
