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CAS 943143-06-4 Di-sec-butylmagnesium – Lithium Chloride (13% in Tetrahydrofuran, ca. 0.8mol/L) molecular structure lightbox
CAS RN: 943143-06-4

Di-sec-butylmagnesium – Lithium Chloride (13% in Tetrahydrofuran, ca. 0.8mol/L)

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Batchno.20260228 25ml In stock Inquiry
  • Product code: ICTD4683
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943143-06-4 / lithium;magnesium;butane;chloride

Standard CAS: 943143-06-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
943143-06-4
Multi CAS
Yes
Molecular Formula
C8H18CLLIMG
Molecular Weight
181.000000
Exact Mass
180.110748
InChI
InChI=1S/2C4H9.ClH.Li.Mg/c2*1-3-4-2;;;/h2*3H,4H2,1-2H3;1H;;/q2*-1;;+1;+2/p-1
InChIKey
BSCQOKMJZTUXHZ-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
46.28
TPSA
0.0000

LogP / Solubility

WLOGP
-3.13
MLOGP
-2.76
XLogP3
-3.13
Consensus LogP
-3.01
Log S (ESOL)
1.14
Class (ESOL)
Highly soluble
Log S (Ali)
1.22
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.52
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)
-6.05

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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