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CAS 271590-25-1 Bis(2,4,6-trimethylpyridine)silver(I) Hexafluorophosphate molecular structure lightbox
CAS RN: 271590-25-1

Bis(2,4,6-trimethylpyridine)silver(I) Hexafluorophosphate

  • Product code: SSC-125990
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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: 5g
  • 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 271590-25-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

271590-25-1 / silver;bis(2,4,6-trimethylpyridine);hexafluorophosphate

Standard CAS: 271590-25-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
271590-25-1
Multi CAS
No
Molecular Formula
C16H22AgF6N2P
Molecular Weight
495.190000
Exact Mass
494.047570
SMILES
CC1=CC(=NC(=C1)C)C.CC1=CC(=NC(=C1)C)C.F[P-](F)(F)(F)(F)F.[Ag+]
InChI
InChI=1S/2C8H11N.Ag.F6P/c2*1-6-4-7(2)9-8(3)5-6;;1-7(2,3,4,5)6/h2*4-5H,1-3H3;;/q;;+1;-1
InChIKey
XONPDOJDPLFKSL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.38
H-bond acceptors
2
Molar refractivity
90.46
TPSA
25.78

LogP / Solubility

WLOGP
7.39
MLOGP
6.54
XLogP3
7.39
Consensus LogP
7.11
Log S (ESOL)
-7.91
Class (ESOL)
Insoluble
Log S (Ali)
-8.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.02
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.49

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

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