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CAS 1956366-49-6 (5-(1-((2-(trimethylsilyl)ethoxy)methyl)-3-(1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazol-2-yl)-1H-indazol-6-yl)-2H-1,2,3-triazol-4-yl)methanol molecular structure lightbox
CAS RN: 1956366-49-6

(5-(1-((2-(trimethylsilyl)ethoxy)methyl)-3-(1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazol-2-yl)-1H-indazol-6-yl)-2H-1,2,3-triazol-4-yl)methanol

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250224 200mg Out of stock 5-7 business days Inquiry
  • Product code: LINH926554
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1956366-49-6 / [5-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]indazol-6-yl]-2H-triazol-4-yl]methanol

Standard CAS: 1956366-49-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1956366-49-6
Multi CAS
No
Molecular Formula
C25H39N7O3Si2
Molecular Weight
541.800000
Exact Mass
541.265291
SMILES
C[Si](C)(C)CCOCN1C=CN=C1C2=NN(C3=C2C=CC(=C3)C4=NNN=C4CO)COCC[Si](C)(C)C
InChI
InChI=1S/C25H39N7O3Si2/c1-36(2,3)13-11-34-17-31-10-9-26-25(31)24-20-8-7-19(23-21(16-33)27-30-28-23)15-22(20)32(29-24)18-35-12-14-37(4,5)6/h7-10,15,33H,11-14,16-18H2,1-6H3,(H,27,28,30)
InChIKey
ZIWIEFYGZHRAHV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
19
Fraction Csp3
0.52
Rotatable bonds
13
H-bond acceptors
9
H-bond donors
2
Molar refractivity
150.46
TPSA
115.9

LogP / Solubility

WLOGP
4.8
MLOGP
4.27
XLogP3
4.8
Consensus LogP
4.62
Log S (ESOL)
-5.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.73
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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