CAS RN: 5332-69-4
2-BROMO-N-(2-METHYLPHENYL)ACETAMIDE
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.20260413 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS5332-69-4
- Purity/Analytical Methods: >99.0%
5332-69-4 / 2-bromo-N-(2-methylphenyl)acetamide
Basic Information
CAS
5332-69-4
Multi CAS
Yes
Molecular Formula
BC9H10ORn
Molecular Weight
228.090000
Exact Mass
226.994580
InChI
InChI=1S/C9H10BrNO/c1-7-4-2-3-5-8(7)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)
InChIKey
AYLPWFVMBCQRGR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.6
TPSA
29.1
LogP / Solubility
WLOGP
2.33
MLOGP
2.05
XLogP3
1.7
Consensus LogP
2.03
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly 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)
-2.46
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
![CAS 5332-70-7 N-[4-(AMINOSULFONYL)PHENYL]-2-BROMOACETAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1665493.gif)
