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CAS 1788041-63-3 3-bromo-1-{[2-(trimethylsilyl)ethoxy]methyl}-1h-pyrrolo[2,3-b]pyridine-5-carbonitrile molecular structure lightbox
CAS RN: 1788041-63-3

3-bromo-1-{[2-(trimethylsilyl)ethoxy]methyl}-1h-pyrrolo[2,3-b]pyridine-5-carbonitrile

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260207 5g Out of stock 15 business days Inquiry
  • Product code: SSC-079588
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1788041-63-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1788041-63-3 / 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile

Standard CAS: 1788041-63-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1788041-63-3
Multi CAS
No
Molecular Formula
C14H18BrN3OSi
Molecular Weight
352.300000
Exact Mass
351.040250
SMILES
C[Si](C)(C)CCOCN1C=C(C2=C1N=CC(=C2)C#N)Br
InChI
InChI=1S/C14H18BrN3OSi/c1-20(2,3)5-4-19-10-18-9-13(15)12-6-11(7-16)8-17-14(12)18/h6,8-9H,4-5,10H2,1-3H3
InChIKey
DVBYYIKHTKWJQJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.43
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
86.25
TPSA
50.84

LogP / Solubility

WLOGP
3.98
MLOGP
3.52
XLogP3
3.98
Consensus LogP
3.83
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.86
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.04

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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