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CAS 1287217-34-8 (6-Bromopyridin-2-yl)(cyclopropyl)methanone molecular structure lightbox
CAS RN: 1287217-34-8

(6-Bromopyridin-2-yl)(cyclopropyl)methanone

  • Product code: SSC-035924
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1287217-34-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry
5g ≥95% 1 In Stock Hong Kong Inquiry

1287217-34-8 / (6-bromo-2-pyridinyl)-cyclopropylmethanone

Standard CAS: 1287217-34-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1287217-34-8
Multi CAS
No
Molecular Formula
C9H8BrNO
Molecular Weight
226.070000
Exact Mass
224.978930
SMILES
C1CC1C(=O)C2=NC(=CC=C2)Br
InChI
InChI=1S/C9H8BrNO/c10-8-3-1-2-7(11-8)9(12)6-4-5-6/h1-3,6H,4-5H2
InChIKey
NSFFHOFMHKPCMC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
48.99
TPSA
29.96

LogP / Solubility

WLOGP
2.44
MLOGP
2.15
XLogP3
2.4
Consensus LogP
2.33
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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)
-2.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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