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CAS 356-27-4 Ethyl Heptafluorobutyrate molecular structure lightbox
CAS RN: 356-27-4

Ethyl Heptafluorobutyrate

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251001 100g In stock Inquiry
Batchno.20250315 1g In stock Inquiry
Batchno.20260402 25g In stock Inquiry
Batchno.20250610 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250522 100g In stock Shanghai Inquiry
Batchno.20251117 25g In stock Shanghai Inquiry
Batchno.20250820 5g In stock Shanghai Inquiry
  • Product code: ICTH0594
  • Purity/Analytical Methods: >97.0%(GC)
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356-27-4 / ethyl 2,2,3,3,4,4,4-heptafluorobutanoate

Standard CAS: 356-27-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
356-27-4
Multi CAS
No
Molecular Formula
C6F7H5O2
Molecular Weight
242.090000
Exact Mass
242.017777
InChI
InChI=1S/C6H5F7O2/c1-2-15-3(14)4(7,8)5(9,10)6(11,12)13/h2H2,1H3
InChIKey
JVHJRIQPDBCRRE-UHFFFAOYSA-N

Physical Properties

Physical Description
Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
32.58
TPSA
26.3

LogP / Solubility

WLOGP
2.38
MLOGP
2.1
XLogP3
2.8
Consensus LogP
2.43
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
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)
-2.51

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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