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CAS 83310-97-8 4,4,5,5,6,6,7,7,7-Nonafluoro-1-heptanol molecular structure lightbox
CAS RN: 83310-97-8

4,4,5,5,6,6,7,7,7-Nonafluoro-1-heptanol

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251008 100g Out of stock Inquiry
Batchno.20251011 25g In stock Shanghai Inquiry
Batchno.20260515 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: ICTN1040
  • Purity/Analytical Methods: >98.0%(GC)
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83310-97-8 / 4,4,5,5,6,6,7,7,7-nonafluoroheptan-1-ol

Standard CAS: 83310-97-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
83310-97-8
Multi CAS
No
Molecular Formula
C7F9H7O
Molecular Weight
278.120000
Exact Mass
278.035318
InChI
InChI=1S/C7H7F9O/c8-4(9,2-1-3-17)5(10,11)6(12,13)7(14,15)16/h17H,1-3H2
InChIKey
OVBNEUIFHDEQHD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
37.22
TPSA
20.23

LogP / Solubility

WLOGP
3.23
MLOGP
2.85
XLogP3
3.4
Consensus LogP
3.16
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.75
Class (SILICOS-IT)
Slightly 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)
-2.13

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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