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CAS 797789-00-5 1-Hexylpyridinium Hexafluorophosphate molecular structure lightbox
CAS RN: 797789-00-5

1-Hexylpyridinium Hexafluorophosphate

Product Availability

Choose a grade to view its available package options.

9 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250120 100g In stock Inquiry
Batchno.20250613 1g In stock Inquiry
Batchno.20250814 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20251204 25g In stock Inquiry
Batchno.20260119 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251031 100g Out of stock Inquiry
Batchno.20250218 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250825 25g In stock Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250614 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-188861
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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: 25g
  • Available purity: ＞97%
  • 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 797789-00-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

797789-00-5 / 1-hexylpyridin-1-ium hexafluorophosphate

Standard CAS: 797789-00-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
797789-00-5
Multi CAS
No
Molecular Formula
C11F6H18NP
Molecular Weight
309.230000
Exact Mass
309.108106
InChI
InChI=1S/C11H18N.F6P/c1-2-3-4-6-9-12-10-7-5-8-11-12;1-7(2,3,4,5)6/h5,7-8,10-11H,2-4,6,9H2,1H3;/q+1;-1
InChIKey
DKRTWJPQQYAIHH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
5
H-bond acceptors
7
Molar refractivity
64.35
TPSA
3.88

LogP / Solubility

WLOGP
5.94
MLOGP
5.24
XLogP3
5.94
Consensus LogP
5.71
Log S (ESOL)
-5.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.2
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
No
Log Kp (skin permeation)
-0.39

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
1.5

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