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CAS 376-27-2 METHYL PERFLUOROOCTANOATE molecular structure lightbox
CAS RN: 376-27-2

METHYL PERFLUOROOCTANOATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260320 1g / 5g / 25g / 100g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: starshine_CAS376-27-2
  • Purity/Analytical Methods: >99.0%
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376-27-2 / methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate

Standard CAS: 376-27-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
376-27-2
Multi CAS
Yes
Molecular Formula
C9F15H3O2
Molecular Weight
428.090000
Exact Mass
427.989352
InChI
InChI=1S/C9H3F15O2/c1-26-2(25)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h1H3
InChIKey
XOCNYZFAMHDXJK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.89
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
47.75
TPSA
26.3

LogP / Solubility

WLOGP
4.53
MLOGP
4.02
XLogP3
5.3
Consensus LogP
4.62
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.93
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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