CAS RN: 6090-78-4
N-(2-Bromo-phenyl)-2-chloro-acetamide
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.20250817 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS6090-78-4
- Purity/Analytical Methods: >99.0%
6090-78-4 / N-(2-bromophenyl)-2-chloroacetamide
Basic Information
CAS
6090-78-4
Multi CAS
Yes
Molecular Formula
C8H7BRCLNO
Molecular Weight
248.500000
Exact Mass
246.939950
InChI
InChI=1S/C8H7BrClNO/c9-6-3-1-2-4-7(6)11-8(12)5-10/h1-4H,5H2,(H,11,12)
InChIKey
FHWXHTWOJWDSAR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.49
TPSA
29.1
LogP / Solubility
WLOGP
2.63
MLOGP
2.32
XLogP3
2
Consensus LogP
2.32
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
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)
-2.37
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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