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CAS 1401708-91-5 Bis(N,N’-diMethylpiperazine)tetra[copper(I) iodide], 98% MOF molecular structure lightbox
CAS RN: 1401708-91-5

Bis(N,N’-diMethylpiperazine)tetra[copper(I) iodide], 98% MOF

Product Availability

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251013 250mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260622 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1401708-91-5
  • Purity/Analytical Methods: >99.0%
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1401708-91-5 / bis(1,4-dimethylpiperazine);iodocopper

Standard CAS: 1401708-91-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1401708-91-5
Multi CAS
No
Molecular Formula
C12H28Cu4I4N4
Molecular Weight
990.200000
Exact Mass
989.565900
SMILES
CN1CCN(CC1)C.CN1CCN(CC1)C.[Cu]I.[Cu]I.[Cu]I.[Cu]I
InChI
InChI=1S/2C6H14N2.4Cu.4HI/c2*1-7-3-5-8(2)6-4-7;;;;;;;;/h2*3-6H2,1-2H3;;;;;4*1H/q;;4*+1;;;;/p-4
InChIKey
CRSWMJMJMMUXLX-UHFFFAOYSA-J

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
1
H-bond acceptors
4
Molar refractivity
126.07
TPSA
12.96

LogP / Solubility

WLOGP
3.26
MLOGP
2.96
XLogP3
3.26
Consensus LogP
3.16
Log S (ESOL)
-8.03
Class (ESOL)
Insoluble
Log S (Ali)
-10.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.8
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-6.45

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
2.5

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