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CAS 893413-42-8 (6-Chloro-1H-benzotriazol-1-yloxy)tripyrrolidinophosphonium Hexafluorophosphate molecular structure lightbox
CAS RN: 893413-42-8

(6-Chloro-1H-benzotriazol-1-yloxy)tripyrrolidinophosphonium Hexafluorophosphate

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251126 100g In stock Inquiry
Batchno.20251230 1g In stock Inquiry
Batchno.20250705 25g In stock Inquiry
Batchno.20251012 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260330 100g In stock Shanghai Inquiry
Batchno.20260205 25g Out of stock Inquiry
Batchno.20260403 500g In stock Shanghai Inquiry
Batchno.20260608 5g In stock Shanghai Inquiry
  • Product code: SSC-201238
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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: 100g
  • 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 893413-42-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shanghai Inquiry

893413-42-8 / (6-chlorobenzotriazol-1-yl)oxy-tripyrrolidin-1-ylphosphanium hexafluorophosphate

Standard CAS: 893413-42-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
893413-42-8
Multi CAS
No
Molecular Formula
C18H27CLF6N6OP2
Molecular Weight
554.800000
Exact Mass
554.131430
InChI
InChI=1S/C18H27ClN6OP.F6P/c19-16-7-8-17-18(15-16)25(21-20-17)26-27(22-9-1-2-10-22,23-11-3-4-12-23)24-13-5-6-14-24;1-7(2,3,4,5)6/h7-8,15H,1-6,9-14H2;/q+1;-1
InChIKey
QJZCQEPNBRAYQL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
7
Molar refractivity
122.03
TPSA
49.66

LogP / Solubility

WLOGP
6.86
MLOGP
6.08
XLogP3
6.86
Consensus LogP
6.6
Log S (ESOL)
-7.47
Class (ESOL)
Insoluble
Log S (Ali)
-9.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.56
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.23

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
3.5

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