CAS RN: 24738-51-0
DODECA-2(E),4(E)-DIENOIC ACID ISOBUTYLAMIDE(P)
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.20250419 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS24738-51-0
- Purity/Analytical Methods: >99.0%
24738-51-0 / N-(2-methylpropyl)dodeca-2,4-dienamide
Basic Information
CAS
24738-51-0
Multi CAS
No
Molecular Formula
C16H29NO
Molecular Weight
251.410000
Exact Mass
251.224915
SMILES
CCCCCCCC=CC=CC(=O)NCC(C)C
InChI
InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+
InChIKey
BBRMJCAPNGJKEM-AQASXUMVSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.69
Rotatable bonds
10
H-bond acceptors
1
H-bond donors
1
Molar refractivity
79.5
TPSA
29.1
LogP / Solubility
WLOGP
4.23
MLOGP
3.73
XLogP3
5.5
Consensus LogP
4.49
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.01
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.25
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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