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CAS 206752-41-2 O-(Benzotriazol-1-yl)-N,N,N’,N’-bis(pentamethylene)uronium Hexafluorophosphate molecular structure lightbox
CAS RN: 206752-41-2

O-(Benzotriazol-1-yl)-N,N,N’,N’-bis(pentamethylene)uronium Hexafluorophosphate

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250924 1g In stock Inquiry
Batchno.20251123 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251001 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250228 25g In stock Shenzhen, Tianjin Inquiry
Batchno.20250516 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-097373
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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: 10g
  • 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 206752-41-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry

206752-41-2 / 1-[piperidin-1-ium-1-ylidene(piperidin-1-yl)methoxy]benzotriazole hexafluorophosphate

Standard CAS: 206752-41-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
206752-41-2
Multi CAS
No
Molecular Formula
C17H24F6N5OP
Molecular Weight
459.400000
Exact Mass
459.162266
SMILES
C1CCN(CC1)C(=[N+]2CCCCC2)ON3C4=CC=CC=C4N=N3.F[P-](F)(F)(F)(F)F
InChI
InChI=1S/C17H24N5O.F6P/c1-5-11-20(12-6-1)17(21-13-7-2-8-14-21)23-22-16-10-4-3-9-15(16)18-19-22;1-7(2,3,4,5)6/h3-4,9-10H,1-2,5-8,11-14H2;/q+1;-1
InChIKey
YNOBMGHLCWIWCL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
9
Fraction Csp3
0.59
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
101.95
TPSA
46.19

LogP / Solubility

WLOGP
5.28
MLOGP
4.68
XLogP3
5.28
Consensus LogP
5.08
Log S (ESOL)
-6.17
Class (ESOL)
Insoluble
Log S (Ali)
-7.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.15
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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