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CAS 133894-48-1 Chlorotripyrrolidinophosphonium Hexafluorophosphate molecular structure lightbox
CAS RN: 133894-48-1

Chlorotripyrrolidinophosphonium Hexafluorophosphate

Product Availability

Choose a grade to view its available package options.

9 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250524 100g In stock Inquiry
Batchno.20260101 1g Out of stock Inquiry
Batchno.20251028 25g In stock Inquiry
Batchno.20250426 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260528 100g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250425 10g In stock Shanghai, Chengdu Inquiry
Batchno.20251209 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250109 500g In stock Shanghai Inquiry
Batchno.20250831 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-040936
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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, 5g, 10g, 25g
  • Available purity: ≥98%
  • 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 133894-48-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry
10g ≥98% 0 Out of Stock Shanghai Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry

133894-48-1 / chloro(tripyrrolidin-1-yl)phosphanium hexafluorophosphate

Standard CAS: 133894-48-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
133894-48-1
Multi CAS
No
Molecular Formula
C12H24ClF6N3P2
Molecular Weight
421.730000
Exact Mass
421.103818
SMILES
C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)Cl.F[P-](F)(F)(F)(F)F
InChI
InChI=1S/C12H24ClN3P.F6P/c13-17(14-7-1-2-8-14,15-9-3-4-10-15)16-11-5-6-12-16;1-7(2,3,4,5)6/h1-12H2;/q+1;-1
InChIKey
BSCYRXJVGSZNKX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
88.76
TPSA
9.72

LogP / Solubility

WLOGP
6.57
MLOGP
5.81
XLogP3
6.57
Consensus LogP
6.32
Log S (ESOL)
-6.4
Class (ESOL)
Insoluble
Log S (Ali)
-7.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.22
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)
-0.63

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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