CAS RN: 37140-96-8
2-Propenamide, 2-methyl-N-(2-phenylethyl)-
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.20250213 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS37140-96-8
- Purity/Analytical Methods: >99.0%
37140-96-8 / 2-methyl-N-(2-phenylethyl)prop-2-enamide
Basic Information
CAS
37140-96-8
Multi CAS
No
Molecular Formula
C12H15NO
Molecular Weight
189.250000
Exact Mass
189.115364
InChI
InChI=1S/C12H15NO/c1-10(2)12(14)13-9-8-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3,(H,13,14)
InChIKey
GTAFMQMHTPUJMR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
57.97
TPSA
29.1
LogP / Solubility
WLOGP
1.92
MLOGP
1.69
XLogP3
2.5
Consensus LogP
2.04
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately 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)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- Product Code: starshine_CAS37140-99-1
- Purity/Analytical method: >99.0%
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