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CAS 1936025-30-7 3-Bromo-1-(methylsulfonyl)-7-azaindole molecular structure lightbox
CAS RN: 1936025-30-7

3-Bromo-1-(methylsulfonyl)-7-azaindole

  • Product code: SSC-091251
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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 1936025-30-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1936025-30-7 / 3-bromo-1-methylsulfonylpyrrolo[2,3-b]pyridine

Standard CAS: 1936025-30-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1936025-30-7
Multi CAS
No
Molecular Formula
C8H7BrN2O2S
Molecular Weight
275.120000
Exact Mass
273.941160
SMILES
CS(=O)(=O)N1C=C(C2=C1N=CC=C2)Br
InChI
InChI=1S/C8H7BrN2O2S/c1-14(12,13)11-5-7(9)6-3-2-4-10-8(6)11/h2-5H,1H3
InChIKey
MNLFCUIMPIRRSU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
57.67
TPSA
51.96

LogP / Solubility

WLOGP
1.61
MLOGP
1.42
XLogP3
1.6
Consensus LogP
1.54
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.26

Drug-likeness / Medicinal Chemistry

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

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