CAS RN: 887268-20-4
4-BROMO-N,N-DIMETHYL-2-FLUOROANILINE
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.20260502 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS887268-20-4
- Purity/Analytical Methods: >99.0%
887268-20-4 / 4-bromo-2-fluoro-N,N-dimethylaniline
Basic Information
CAS
887268-20-4
Multi CAS
No
Molecular Formula
BC8H9NRf
Molecular Weight
218.070000
Exact Mass
216.990240
InChI
InChI=1S/C8H9BrFN/c1-11(2)8-4-3-6(9)5-7(8)10/h3-5H,1-2H3
InChIKey
XOYOXHVNYCDDLL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
48.43
TPSA
3.24
LogP / Solubility
WLOGP
2.65
MLOGP
2.34
XLogP3
2.8
Consensus LogP
2.6
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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)
-2.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 887268-24-8 4′-BROMOMETHYL-3′-CHLORO-[1,1′-BIPHENYL]-2-CARBONITRIL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB7651878.gif)
