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CAS 83766-52-3 4-(HEPTADECAFLUOROOCTYL)ANILINE molecular structure lightbox
CAS RN: 83766-52-3

4-(HEPTADECAFLUOROOCTYL)ANILINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250303 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: SSC-191474
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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: 0.25g
  • 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 83766-52-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

83766-52-3 / 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)aniline

Standard CAS: 83766-52-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
83766-52-3
Multi CAS
Yes
Molecular Formula
C14F17H6N
Molecular Weight
511.180000
Exact Mass
511.022878
InChI
InChI=1S/C14H6F17N/c15-7(16,5-1-3-6(32)4-2-5)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h1-4H,32H2
InChIKey
ZQTZVMUNYIDMJV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
7
H-bond acceptors
1
H-bond donors
1
Molar refractivity
70.49
TPSA
26.02

LogP / Solubility

WLOGP
6.73
MLOGP
5.96
XLogP3
6.8
Consensus LogP
6.5
Log S (ESOL)
-6.93
Class (ESOL)
Insoluble
Log S (Ali)
-8.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.41
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.06

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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