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CAS 63488-10-8 4-TERT-BUTYLPHENYLMAGNESIUM BROMIDE molecular structure lightbox
CAS RN: 63488-10-8

4-TERT-BUTYLPHENYLMAGNESIUM BROMIDE

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20250712 100ml In stock Inquiry
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  • Product code: starshine_CAS63488-10-8
  • Purity/Analytical Methods: >99.0%
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63488-10-8 / magnesium;tert-butylbenzene;bromide

Standard CAS: 63488-10-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
63488-10-8
Multi CAS
Yes
Molecular Formula
C10H13BRMG
Molecular Weight
237.420000
Exact Mass
236.005100
InChI
InChI=1S/C10H13.BrH.Mg/c1-10(2,3)9-7-5-4-6-8-9;;/h5-8H,1-3H3;1H;/q-1;;+2/p-1
InChIKey
JFWSITPEDQPZNZ-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
49.73
TPSA
0.0000

LogP / Solubility

WLOGP
-0.59
MLOGP
-0.52
XLogP3
-0.59
Consensus LogP
-0.57
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.71
Class (SILICOS-IT)
Very 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)
-4.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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