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CAS 5496-71-9 N,N,N’,N’-Tetrakis(4-dibutylaminophenyl)-1,4-benzoquinone Diiminium Bis(hexafluoroantimonate) molecular structure lightbox
CAS RN: 5496-71-9

N,N,N’,N’-Tetrakis(4-dibutylaminophenyl)-1,4-benzoquinone Diiminium Bis(hexafluoroantimonate)

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260406 250mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260331 1g Out of stock Inquiry
  • Product code: SSC-162799
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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
  • 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 5496-71-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

5496-71-9 / dibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;bis(hexafluoroantimony(1-))

Standard CAS: 5496-71-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5496-71-9
Multi CAS
Yes
Molecular Formula
B2C62F12H92N6S
Molecular Weight
1392.900000
Exact Mass
1392.527210
InChI
InChI=1S/C62H92N6.12FH.2Sb/c1-9-17-45-63(46-18-10-2)53-25-33-57(34-26-53)67(58-35-27-54(28-36-58)64(47-19-11-3)48-20-12-4)61-41-43-62(44-42-61)68(59-37-29-55(30-38-59)65(49-21-13-5)50-22-14-6)60-39-31-56(32-40-60)66(51-23-15-7)52-24-16-8;;;;;;;;;;;;;;/h25-44H,9-24,45-52H2,1-8H3;12*1H;;/q+2;;;;;;;;;;;;;2*+5/p-12
InChIKey
PNJNMXYMTWLKIW-UHFFFAOYSA-B

Computed Properties

Structural Parameters

Heavy atom count
82
Aromatic heavy atom count
24
Fraction Csp3
0.52
Rotatable bonds
32
H-bond acceptors
4
Molar refractivity
328.02
TPSA
18.98

LogP / Solubility

WLOGP
21.11
MLOGP
18.72
XLogP3
21.11
Consensus LogP
20.31
Log S (ESOL)
-19.88
Class (ESOL)
Insoluble
Log S (Ali)
-26.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-30.08
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)
3.77

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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