CAS RN: 760-80-5

ETHYL 2-FLUOROACRYLATE

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250530 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS760-80-5
  • Purity/Analytical Methods: >99.0%
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760-80-5 / ethyl 2-fluoroprop-2-enoate

Standard CAS: 760-80-5 Multi CAS: No

Basic Information

CAS
760-80-5
Multi CAS
No
Molecular Formula
C5FH7O2
Molecular Weight
118.110000
Exact Mass
118.043008
InChI
InChI=1S/C5H7FO2/c1-3-8-5(7)4(2)6/h2-3H2,1H3
InChIKey
DJMOYRIAWTXGEY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
26.88
TPSA
26.3

LogP / Solubility

WLOGP
1.03
MLOGP
0.9
XLogP3
1.9
Consensus LogP
1.28
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
Class (SILICOS-IT)
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)
-2.71

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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