CAS RN: 25462-66-2
2′,5′-Dibromoacetoanilide
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.20250814 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS25462-66-2
- Purity/Analytical Methods: >99.0%
25462-66-2 / N-(2,5-dibromophenyl)acetamide
Basic Information
CAS
25462-66-2
Multi CAS
No
Molecular Formula
C8H7Br2NO
Molecular Weight
292.950000
Exact Mass
292.887390
SMILES
CC(=O)NC1=C(C=CC(=C1)Br)Br
InChI
InChI=1S/C8H7Br2NO/c1-5(12)11-8-4-6(9)2-3-7(8)10/h2-4H,1H3,(H,11,12)
InChIKey
DDGKGRZXBVALJN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.15
TPSA
29.1
LogP / Solubility
WLOGP
3.17
MLOGP
2.8
XLogP3
2.3
Consensus LogP
2.76
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
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)
-2.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
