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CAS 84145-17-5 ALLYL PERFLUOROPENTANOATE molecular structure lightbox
CAS RN: 84145-17-5

ALLYL PERFLUOROPENTANOATE

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260420 100g In stock Inquiry
Batchno.20251015 25g In stock Inquiry
Batchno.20250218 5g In stock Inquiry
  • Product code: starshine_CAS84145-17-5
  • Purity/Analytical Methods: >99.0%
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84145-17-5 / prop-2-enyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate

Standard CAS: 84145-17-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
84145-17-5
Multi CAS
No
Molecular Formula
C8F9H5O2
Molecular Weight
304.110000
Exact Mass
304.014583
InChI
InChI=1S/C8H5F9O2/c1-2-3-19-4(18)5(9,10)6(11,12)7(13,14)8(15,16)17/h2H,1,3H2
InChIKey
OUJAXDQRZMGUOM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.62
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
42.05
TPSA
26.3

LogP / Solubility

WLOGP
3.18
MLOGP
2.81
XLogP3
3.9
Consensus LogP
3.3
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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