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CAS 214701-49-2 1-(5-BROMO-PYRIDIN-2-YL)-ETHANONE molecular structure lightbox
CAS RN: 214701-49-2

1-(5-BROMO-PYRIDIN-2-YL)-ETHANONE

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250204 100g In stock Shandong Inquiry
Batchno.20250420 1g In stock Shanghai Inquiry
Batchno.20250811 25g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20260416 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-102931
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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: 1g, 5g, 10g, 25g, 100g, 500g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 214701-49-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Beijing Inquiry
5g >97% 5 In Stock Hong Kong Inquiry
10g >97% 5 In Stock Shenzhen Inquiry
25g >97% 5 In Stock Beijing Inquiry
100g >97% 5 In Stock Shenzhen Inquiry
500g >97% 1 In Stock Hong Kong Inquiry

214701-49-2 / 1-(5-bromo-2-pyridinyl)ethanone

Standard CAS: 214701-49-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214701-49-2
Multi CAS
No
Molecular Formula
C7H6BrNO
Molecular Weight
200.030000
Exact Mass
198.963280
SMILES
CC(=O)C1=NC=C(C=C1)Br
InChI
InChI=1S/C7H6BrNO/c1-5(10)7-3-2-6(8)4-9-7/h2-4H,1H3
InChIKey
IDZRAUUUHXQGKC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
41.94
TPSA
29.96

LogP / Solubility

WLOGP
2.05
MLOGP
1.8
XLogP3
1.6
Consensus LogP
1.82
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
Class (SILICOS-IT)
Moderately 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)
-2.49

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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