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CAS 1185428-34-5 2-bromo-5-((2-(trimethylsilyl)ethoxy)methyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde molecular structure lightbox
CAS RN: 1185428-34-5

2-bromo-5-((2-(trimethylsilyl)ethoxy)methyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260207 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1185428-34-5
  • Purity/Analytical Methods: >99.0%
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1185428-34-5 / 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde

2-bromo-5-((2-(trimethylsilyl)ethoxy)methyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde | MFCD24848155 | 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde

Standard CAS: 1185428-34-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1185428-34-5
Multi CAS
No
Molecular Formula
C13H18BrN3O2Si
Molecular Weight
356.290000
Exact Mass
355.035170
SMILES
C[Si](C)(C)CCOCN1C=C(C2=NC(=CN=C21)Br)C=O
InChI
InChI=1S/C13H18BrN3O2Si/c1-20(2,3)5-4-19-9-17-7-10(8-18)12-13(17)15-6-11(14)16-12/h6-8H,4-5,9H2,1-3H3
InChIKey
RQFGYCXSMQFACA-UHFFFAOYSA-N
Synonyms
2-bromo-5-((2-(trimethylsilyl)ethoxy)methyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde MFCD24848155 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde 2-bromo-5-{[2-(trimethylsilyl)ethoxy]methyl}-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde C13H18BrN3O2Si

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.46
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
84.72
TPSA
57.01

LogP / Solubility

WLOGP
3.32
MLOGP
2.94
XLogP3
3.32
Consensus LogP
3.19
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.45
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.54

Drug-likeness / Medicinal Chemistry

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

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