CAS RN: 42997-42-2
2,4-Decadien-1-one, 1-(1-piperidinyl)-, (2E,4E)-
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.20260518 | 1mg / 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS42997-42-2
- Purity/Analytical Methods: >99.0%
42997-42-2 / (2E,4E)-1-piperidin-1-yldeca-2,4-dien-1-one
Basic Information
CAS
42997-42-2
Multi CAS
No
Molecular Formula
C15H25NO
Molecular Weight
235.360000
Exact Mass
235.193614
InChI
InChI=1S/C15H25NO/c1-2-3-4-5-6-7-9-12-15(17)16-13-10-8-11-14-16/h6-7,9,12H,2-5,8,10-11,13-14H2,1H3/b7-6+,12-9+
InChIKey
ZPSGREUUQGTKDE-ZICOIJLXSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.67
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
72.85
TPSA
20.31
LogP / Solubility
WLOGP
3.69
MLOGP
3.25
XLogP3
4.1
Consensus LogP
3.68
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.97
Class (SILICOS-IT)
Slightly 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)
-1.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 43012-19-7
- Product Code: starshine_CAS43012-19-7
- Purity/Analytical method: >99.0%
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