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CAS 87437-41-0 2-broMo-1-(3,5-dichloropyridin-2-yl)ethanone molecular structure lightbox
CAS RN: 87437-41-0

2-broMo-1-(3,5-dichloropyridin-2-yl)ethanone

  • Product code: SSC-197410
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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
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 87437-41-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Hong Kong Inquiry
0.25g >95% 2 In Stock Shanghai Inquiry
1g >95% 2 In Stock Shenzhen Inquiry

87437-41-0 / 2-bromo-1-(3,5-dichloro-2-pyridinyl)ethanone

Standard CAS: 87437-41-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
87437-41-0
Multi CAS
Yes
Molecular Formula
C7H4BRCL2NO
Molecular Weight
268.920000
Exact Mass
266.885330
InChI
InChI=1S/C7H4BrCl2NO/c8-2-6(12)7-5(10)1-4(9)3-11-7/h1,3H,2H2
InChIKey
MNFWXYZAQPBKSQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
52.38
TPSA
29.96

LogP / Solubility

WLOGP
2.97
MLOGP
2.62
XLogP3
2.9
Consensus LogP
2.83
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly 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)
-2.25

Drug-likeness / Medicinal Chemistry

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

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