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CAS 41168-79-0 1,1′-Bis(2,4-dinitrophenyl)-4,4′-bipyridinium Dichloride molecular structure lightbox
CAS RN: 41168-79-0

1,1′-Bis(2,4-dinitrophenyl)-4,4′-bipyridinium Dichloride

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250114 250mg / 1g / 5g / 25g Confirm by inquiry Shandong, Hebei, Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250217 200mg In stock Shanghai Inquiry
  • Product code: SSC-149568
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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 41168-79-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

41168-79-0 / 1-(2,4-dinitrophenyl)-4-[1-(2,4-dinitrophenyl)pyridin-1-ium-4-yl]pyridin-1-ium dichloride

Standard CAS: 41168-79-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
41168-79-0
Multi CAS
Yes
Molecular Formula
C22H14CL2N6O8
Molecular Weight
561.300000
Exact Mass
560.025017
InChI
InChI=1S/C22H14N6O8.2ClH/c29-25(30)17-1-3-19(21(13-17)27(33)34)23-9-5-15(6-10-23)16-7-11-24(12-8-16)20-4-2-18(26(31)32)14-22(20)28(35)36;;/h1-14H;2*1H/q+2;;/p-2
InChIKey
HTRYWXJIGDXDLF-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
24
Rotatable bonds
7
H-bond acceptors
8
Molar refractivity
121.56
TPSA
180.32

LogP / Solubility

WLOGP
-2.45
MLOGP
-2.11
XLogP3
-2.45
Consensus LogP
-2.34
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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