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CAS 956003-06-8 3-bromo-1-methyl-1H-Pyrrolo[2,3-c]pyridine molecular structure lightbox
CAS RN: 956003-06-8

3-bromo-1-methyl-1H-Pyrrolo[2,3-c]pyridine

  • Product code: SSC-211073
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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 956003-06-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

956003-06-8 / 3-bromo-1-methylpyrrolo[2,3-c]pyridine

Standard CAS: 956003-06-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
956003-06-8
Multi CAS
Yes
Molecular Formula
BC8H7Rn2
Molecular Weight
211.060000
Exact Mass
209.979260
InChI
InChI=1S/C8H7BrN2/c1-11-5-7(9)6-2-3-10-4-8(6)11/h2-5H,1H3
InChIKey
KGRPPHQYYHQOFZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
48.41
TPSA
17.82

LogP / Solubility

WLOGP
2.34
MLOGP
2.06
XLogP3
1.6
Consensus LogP
2
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
Class (SILICOS-IT)
Moderately 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)
-2.35

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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