CAS RN: 374-25-4
1-BROMO-2-CHLORO-1,1,2-TRIFLUORO-3-BUTENE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250910 | 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS374-25-4
- Purity/Analytical Methods: >99.0%
374-25-4 / 4-bromo-3-chloro-3,4,4-trifluorobut-1-ene
Basic Information
CAS
374-25-4
Multi CAS
No
Molecular Formula
C4H3BRCLF3
Molecular Weight
223.420000
Exact Mass
221.905870
InChI
InChI=1S/C4H3BrClF3/c1-2-3(6,7)4(5,8)9/h2H,1H2
InChIKey
VULPFOSLGWWARI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
33.76
TPSA
0.0000
LogP / Solubility
WLOGP
3.06
MLOGP
2.7
XLogP3
3.3
Consensus LogP
3.02
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
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)
-1.91
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
2
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