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CAS 62202-86-2 N-BUTYLETHYLMAGNESIUM molecular structure lightbox
CAS RN: 62202-86-2

N-BUTYLETHYLMAGNESIUM

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250827 100ml Out of stock Inquiry
Batchno.20250406 25ml In stock Inquiry
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  • Product code: starshine_CAS62202-86-2
  • Purity/Analytical Methods: >99.0%
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62202-86-2 / magnesium;butane;ethane

Standard CAS: 62202-86-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
62202-86-2
Multi CAS
Yes
Molecular Formula
C6H14Mg
Molecular Weight
110.480000
Exact Mass
110.094592
InChI
InChI=1S/C4H9.C2H5.Mg/c1-3-4-2;1-2;/h1,3-4H2,2H3;1H2,2H3;/q2*-1;+2
InChIKey
YHNWUQFTJNJVNU-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
37.05
TPSA
0.0000

LogP / Solubility

WLOGP
2.08
MLOGP
1.82
XLogP3
2.08
Consensus LogP
1.99
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.22
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-1.92

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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