CAS RN: 444915-54-2
Benzene, 4-(chloromethyl)-2-fluoro-1-(trifluoromethyl)-
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250726 | 10g | Out of stock | Inquiry | |
| Batchno.20260618 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250514 | 250mg | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251206 | 5g | In stock | Shenzhen, Tianjin, Wuhan | Inquiry |
- Product code: starshine_CAS444915-54-2
- Purity/Analytical Methods: >99.0%
444915-54-2 / 4-(chloromethyl)-2-fluoro-1-(trifluoromethyl)benzene
Basic Information
CAS
444915-54-2
Multi CAS
No
Molecular Formula
C8H5CLF4
Molecular Weight
212.570000
Exact Mass
212.001591
InChI
InChI=1S/C8H5ClF4/c9-4-5-1-2-6(7(10)3-5)8(11,12)13/h1-3H,4H2
InChIKey
LBRMEGUZSFQNIT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
40.96
TPSA
0.0000
LogP / Solubility
WLOGP
3.58
MLOGP
3.15
XLogP3
3.3
Consensus LogP
3.34
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.47
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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