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CAS 1163707-47-8 4-broMo-2-(1-Methylcyclopropyl)pyridine molecular structure lightbox
CAS RN: 1163707-47-8

4-broMo-2-(1-Methylcyclopropyl)pyridine

  • Product code: SSC-016429
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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 1163707-47-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1163707-47-8 / 4-bromo-2-(1-methylcyclopropyl)pyridine

4-Bromo-2-(1-methylcyclopropyl)pyridine | MFCD13191449 | SCHEMBL943138

Standard CAS: 1163707-47-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1163707-47-8
Multi CAS
No
Molecular Formula
C9H10BrN
Molecular Weight
212.090000
Exact Mass
210.999660
SMILES
CC1(CC1)C2=NC=CC(=C2)Br
InChI
InChI=1S/C9H10BrN/c1-9(3-4-9)8-6-7(10)2-5-11-8/h2,5-6H,3-4H2,1H3
InChIKey
MTCUFGSMUDIWDV-UHFFFAOYSA-N
Synonyms
4-Bromo-2-(1-methylcyclopropyl)pyridine MFCD13191449 SCHEMBL943138 SCHEMBL31388679 DTXSID30726261

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
48.52
TPSA
12.89

LogP / Solubility

WLOGP
2.9
MLOGP
2.55
XLogP3
2.7
Consensus LogP
2.72
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96

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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