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CAS 1427503-04-5 5-BroMo-4,6-diMethyl-7-azaindole molecular structure lightbox
CAS RN: 1427503-04-5

5-BroMo-4,6-diMethyl-7-azaindole

  • Product code: SSC-053967
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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: 0.25g
  • Available purity: ＞97%
  • 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 1427503-04-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry

1427503-04-5 / 5-bromo-4,6-dimethyl-1H-pyrrolo[2,3-b]pyridine

Standard CAS: 1427503-04-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1427503-04-5
Multi CAS
No
Molecular Formula
C9H9BrN2
Molecular Weight
225.080000
Exact Mass
223.994910
SMILES
CC1=C2C=CNC2=NC(=C1Br)C
InChI
InChI=1S/C9H9BrN2/c1-5-7-3-4-11-9(7)12-6(2)8(5)10/h3-4H,1-2H3,(H,11,12)
InChIKey
MJDCLAWSVBUKNW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.27
TPSA
28.68

LogP / Solubility

WLOGP
2.94
MLOGP
2.59
XLogP3
2.8
Consensus LogP
2.78
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2

Drug-likeness / Medicinal Chemistry

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

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