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CAS 30320-27-5 1,1,1,2,4,5,5,5-octafluoro-3-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-4-(trifluoromethyl)pent-2-ene molecular structure lightbox
CAS RN: 30320-27-5

1,1,1,2,4,5,5,5-octafluoro-3-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-4-(trifluoromethyl)pent-2-ene

  • Product code: SSC-134478
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 30320-27-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

30320-27-5 / 1,1,1,4,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)pent-2-ene

Standard CAS: 30320-27-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
30320-27-5
Multi CAS
Yes
Molecular Formula
C9F18
Molecular Weight
450.070000
Exact Mass
449.971257
InChI
InChI=1S/C9F18/c10-3(7(19,20)21,8(22,23)24)1(4(11,12)9(25,26)27)2(5(13,14)15)6(16,17)18
InChIKey
KJIGYKCIAQBHEL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.78
Rotatable bonds
2
H-bond acceptors
18
Molar refractivity
46.09
TPSA
0.0000

LogP / Solubility

WLOGP
6.44
MLOGP
5.7
XLogP3
7
Consensus LogP
6.38
Log S (ESOL)
-6.55
Class (ESOL)
Insoluble
Log S (Ali)
-7.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.17
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.89

Drug-likeness / Medicinal Chemistry

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

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