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CAS 4185-69-7 1-(2,4-Dinitrophenyl)pyridinium Chloride molecular structure lightbox
CAS RN: 4185-69-7

1-(2,4-Dinitrophenyl)pyridinium Chloride

  • Product code: SSC-150184
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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: ＞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 4185-69-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

4185-69-7 / 1-(2,4-dinitrophenyl)pyridin-1-ium chloride

Standard CAS: 4185-69-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4185-69-7
Multi CAS
Yes
Molecular Formula
C11H8CLN3O4
Molecular Weight
281.650000
Exact Mass
281.020333
InChI
InChI=1S/C11H8N3O4.ClH/c15-13(16)9-4-5-10(11(8-9)14(17)18)12-6-2-1-3-7-12;/h1-8H;1H/q+1;/p-1
InChIKey
UYHMQTNGMUDVIY-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
61.28
TPSA
90.16

LogP / Solubility

WLOGP
-1.22
MLOGP
-1.06
XLogP3
-1.22
Consensus LogP
-1.17
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-0.99
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.84
Class (SILICOS-IT)
Very 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)
-5.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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