CAS RN: 672-18-4
2-fluorofumarate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250829 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS672-18-4
- Purity/Analytical Methods: >99.0%
672-18-4 / 2-fluorobut-2-enedioic acid
Basic Information
CAS
672-18-4
Multi CAS
Yes
Molecular Formula
C4FH3O4
Molecular Weight
134.060000
Exact Mass
134.001537
InChI
InChI=1S/C4H3FO4/c5-2(4(8)9)1-3(6)7/h1H,(H,6,7)(H,8,9)
InChIKey
OISKHJXTRQPMQT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
24.46
TPSA
74.6
LogP / Solubility
WLOGP
0.01
XLogP3
-0.1
Consensus LogP
-0.03
Log S (ESOL)
-0.54
Class (ESOL)
Very soluble
Log S (Ali)
-0.67
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.78
Class (SILICOS-IT)
Very 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)
-3.53
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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