CAS RN: 292621-60-4
1-(CHLOROMETHYL)-2,3,4-TRIFLUOROBENZENE
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.20250910 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS292621-60-4
- Purity/Analytical Methods: >99.0%
292621-60-4 / 1-(chloromethyl)-2,3,4-trifluorobenzene
Basic Information
CAS
292621-60-4
Multi CAS
No
Molecular Formula
C7H4CLF3
Molecular Weight
180.550000
Exact Mass
179.995362
InChI
InChI=1S/C7H4ClF3/c8-3-4-1-2-5(9)7(11)6(4)10/h1-2H,3H2
InChIKey
RLWBYURQFNYMIW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
35.87
TPSA
0.0000
LogP / Solubility
WLOGP
2.84
MLOGP
2.5
XLogP3
2.6
Consensus LogP
2.65
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
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)
-1.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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