CAS RN: 23442-14-0
4′-AMINOPHENACYL BROMIDE
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
- Product code: starshine_CAS23442-14-0
- Purity/Analytical Methods: >99.0%
23442-14-0 / 1-(4-aminophenyl)-2-bromoethanone
Basic Information
CAS
23442-14-0
Multi CAS
No
Molecular Formula
C8H8BrNO
Molecular Weight
214.060000
Exact Mass
212.978930
SMILES
C1=CC(=CC=C1C(=O)CBr)N
InChI
InChI=1S/C8H8BrNO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5,10H2
InChIKey
KEDZCZPTPIYWLM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.98
TPSA
43.09
LogP / Solubility
WLOGP
1.85
MLOGP
1.63
XLogP3
1.6
Consensus LogP
1.69
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-2.71
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
Customers Also Viewed
-
5-chloroquinolin-4-ol
- CAS RN: 23443-05-2
- Product Code: starshine_CAS23443-05-2
- Purity/Analytical method: >99.0%
-
4-HYDROXYBENZO[H]QUINOLINE
- CAS RN: 23443-09-6
- Product Code: starshine_CAS23443-09-6
- Purity/Analytical method: >99.0%
-
-
-
-
![CAS 23443-09-6 4-HYDROXYBENZO[H]QUINOLINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/23443-09-6.gif)
![CAS 23443-10-9 Pyrido[1,2-a]pyriMidin-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/23443-10-9.gif)
