CAS RN: 78733-21-8
2-Propenamide, N,N-bis(2-ethylhexyl)-
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.20250425 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS78733-21-8
- Purity/Analytical Methods: >99.0%
78733-21-8 / N,N-bis(2-ethylhexyl)prop-2-enamide
Basic Information
CAS
78733-21-8
Multi CAS
No
Molecular Formula
C19H37NO
Molecular Weight
295.500000
Exact Mass
295.287515
InChI
InChI=1S/C19H37NO/c1-6-11-13-17(8-3)15-20(19(21)10-5)16-18(9-4)14-12-7-2/h10,17-18H,5-9,11-16H2,1-4H3
InChIKey
WUGBLGVVAAUSET-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.84
Rotatable bonds
13
H-bond acceptors
1
Molar refractivity
93.39
TPSA
20.31
LogP / Solubility
WLOGP
5.43
MLOGP
4.79
XLogP3
6.6
Consensus LogP
5.61
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.65
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)
-0.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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