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CAS 137203-34-0 Bis(trimethylaluminum)-1,4-diazabicyclo[2.2.2]octane adduct molecular structure lightbox
CAS RN: 137203-34-0

Bis(trimethylaluminum)-1,4-diazabicyclo[2.2.2]octane adduct

Product Availability

Available package options are listed below.

1 package records1 with current stock
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250714 250mg / 1g / 5g Confirm by inquiry Shanghai, Chongqing, Hebei Inquiry
  • Product code: starshine_CAS137203-34-0
  • Purity/Analytical Methods: >99.0%
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137203-34-0 / 1,4-diazabicyclo[2.2.2]octane;bis(trimethylalumane)

Standard CAS: 137203-34-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
137203-34-0
Multi CAS
No
Molecular Formula
C12H30Al2N2
Molecular Weight
256.340000
Exact Mass
256.203976
SMILES
C[Al](C)C.C[Al](C)C.C1CN2CCN1CC2
InChI
InChI=1S/C6H12N2.6CH3.2Al/c1-2-8-5-3-7(1)4-6-8;;;;;;;;/h1-6H2;6*1H3;;
InChIKey
WSTAITCRSVOCTK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
H-bond acceptors
2
Molar refractivity
79.57
TPSA
6.48

LogP / Solubility

WLOGP
2.36
MLOGP
2.08
XLogP3
2.36
Consensus LogP
2.27
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61

Drug-likeness / Medicinal Chemistry

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

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