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CAS 605-59-4 1-ETHYL-4-METHYLQUINOLINIUM IODIDE molecular structure lightbox
CAS RN: 605-59-4

1-ETHYL-4-METHYLQUINOLINIUM IODIDE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250731 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-169086
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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 605-59-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

605-59-4 / 1-ethyl-4-methylquinolin-1-ium iodide

Standard CAS: 605-59-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
605-59-4
Multi CAS
Yes
Molecular Formula
C12H14In
Molecular Weight
299.150000
Exact Mass
299.017100
InChI
InChI=1S/C12H14N.HI/c1-3-13-9-8-10(2)11-6-4-5-7-12(11)13;/h4-9H,3H2,1-2H3;1H/q+1;/p-1
InChIKey
VQDKCFLPUPEBJC-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
54.55
TPSA
3.88

LogP / Solubility

WLOGP
-0.54
MLOGP
-0.46
XLogP3
-0.54
Consensus LogP
-0.51
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.93

Drug-likeness / Medicinal Chemistry

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

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