![CAS 304664-15-1 N-[2-(4-bromophenyl)ethyl]-2-methylpropanamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/304664-15-1(2).gif)
CAS RN: 304664-15-1
N-[2-(4-bromophenyl)ethyl]-2-methylpropanamide
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.20251101 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS304664-15-1
- Purity/Analytical Methods: >99.0%
304664-15-1 / N-[2-(4-bromophenyl)ethyl]-2-methylpropanamide
Basic Information
CAS
304664-15-1
Multi CAS
No
Molecular Formula
BC12H16ORn
Molecular Weight
270.170000
Exact Mass
269.041530
InChI
InChI=1S/C12H16BrNO/c1-9(2)12(15)14-8-7-10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKey
YTDGAIPQPGLUBF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
65.69
TPSA
29.1
LogP / Solubility
WLOGP
2.76
MLOGP
2.44
XLogP3
3.2
Consensus LogP
2.8
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 304676-35-5 1-[(2-methylphenoxy)acetyl]-1,2,3,4-tetrahydroquinoline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/304676-35-5(2).gif)