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CAS 22366-98-9 1,8-BIS(METHYLAMINO)-3,6-DIOXAOCTANE, 98 molecular structure lightbox
CAS RN: 22366-98-9

1,8-BIS(METHYLAMINO)-3,6-DIOXAOCTANE, 98

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260312 100mg In stock Shanghai Inquiry
Batchno.20250411 1g In stock Shanghai Inquiry
Batchno.20260212 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251130 5g In stock Shanghai Inquiry
  • Product code: SSC-109054
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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 22366-98-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

22366-98-9 / N-methyl-2-[2-[2-(methylamino)ethoxy]ethoxy]ethanamine

Standard CAS: 22366-98-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22366-98-9
Multi CAS
No
Molecular Formula
C8H20N2O2
Molecular Weight
176.260000
Exact Mass
176.152478
SMILES
CNCCOCCOCCNC
InChI
InChI=1S/C8H20N2O2/c1-9-3-5-11-7-8-12-6-4-10-2/h9-10H,3-8H2,1-2H3
InChIKey
MRULVAADQTWBTF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
2
Molar refractivity
49.49
TPSA
42.52

LogP / Solubility

WLOGP
-0.54
MLOGP
-0.48
XLogP3
-0.9
Consensus LogP
-0.64
Class (ESOL)
Highly soluble
Log S (Ali)
-0.61
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.44
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)
-4.18

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
1.5

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