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CAS 755-40-8 3,3,4,4,5,5,5-HEPTAFLUOROPENTAN-1-OL molecular structure lightbox
CAS RN: 755-40-8

3,3,4,4,5,5,5-HEPTAFLUOROPENTAN-1-OL

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251220 1g In stock Shanghai Inquiry
Batchno.20260407 250mg In stock Shanghai Inquiry
Batchno.20250202 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS755-40-8
  • Purity/Analytical Methods: >99.0%
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755-40-8 / 3,3,4,4,5,5,5-heptafluoropentan-1-ol

Standard CAS: 755-40-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
755-40-8
Multi CAS
No
Molecular Formula
C5F7H5O
Molecular Weight
214.080000
Exact Mass
214.022862
InChI
InChI=1S/C5H5F7O/c6-3(7,1-2-13)4(8,9)5(10,11)12/h13H,1-2H2
InChIKey
ROTSWXZIBBJEPH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
27.65
TPSA
20.23

LogP / Solubility

WLOGP
2.2
MLOGP
1.94
XLogP3
2.4
Consensus LogP
2.18
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.24
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)
-2.46

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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