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CAS 2411581-06-9 1-Amino-1,4-diazabicyclo[2.2.2]octan-1-ium iodide hydroiodide molecular structure lightbox
CAS RN: 2411581-06-9

1-Amino-1,4-diazabicyclo[2.2.2]octan-1-ium iodide hydroiodide

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260210 100mg In stock Shanghai Inquiry
Batchno.20260613 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20260201 1g In stock Chengdu Inquiry
Batchno.20250930 250mg In stock Shanghai Inquiry
Batchno.20250204 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-117565
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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, 5g
  • 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 2411581-06-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

2411581-06-9 / 4-aza-1-azoniabicyclo[2.2.2]octan-1-amine;iodide;hydroiodide

Standard CAS: 2411581-06-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2411581-06-9
Multi CAS
No
Molecular Formula
C6H15I2N3
Molecular Weight
383.010000
Exact Mass
382.935540
SMILES
C1C[N+]2(CCN1CC2)N.I.[I-]
InChI
InChI=1S/C6H14N3.2HI/c7-9-4-1-8(2-5-9)3-6-9;;/h1-7H2;2*1H/q+1;;/p-1
InChIKey
SLBUAMUOLCFJMA-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.9
TPSA
29.26

LogP / Solubility

WLOGP
-3.37
MLOGP
-2.95
XLogP3
-3.37
Consensus LogP
-3.23
Log S (ESOL)
-0.09
Class (ESOL)
Very soluble
Log S (Ali)
-0.27
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.65
Class (SILICOS-IT)
Highly 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)
-7.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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