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CAS 1956386-57-4 7-Bromo-6-methyl-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-indazole molecular structure lightbox
CAS RN: 1956386-57-4

7-Bromo-6-methyl-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-indazole

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250429 5g Out of stock 5-7 business days Inquiry
  • Product code: LINB901003
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1956386-57-4 / 2-[(7-bromo-6-methylindazol-1-yl)methoxy]ethyl-trimethylsilane

Standard CAS: 1956386-57-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1956386-57-4
Multi CAS
No
Molecular Formula
C14H21BrN2OSi
Molecular Weight
341.320000
Exact Mass
340.060650
SMILES
CC1=C(C2=C(C=C1)C=NN2COCC[Si](C)(C)C)Br
InChI
InChI=1S/C14H21BrN2OSi/c1-11-5-6-12-9-16-17(14(12)13(11)15)10-18-7-8-19(2,3)4/h5-6,9H,7-8,10H2,1-4H3
InChIKey
LTEFXOFWTSSNRJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
86.28
TPSA
27.05

LogP / Solubility

WLOGP
4.42
MLOGP
3.91
XLogP3
4.42
Consensus LogP
4.25
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.15
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.66

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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