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CAS 220957-39-1 5-Bromofuro[2,3-b]pyridine molecular structure lightbox
CAS RN: 220957-39-1

5-Bromofuro[2,3-b]pyridine

  • Product code: SSC-106296
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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: 0.25g, 0.1g, 1g, 5g
  • Available purity: >98%
  • 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 220957-39-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >98% 3 In Stock Shenzhen Inquiry
0.1g >98% 1 In Stock Hong Kong Inquiry
1g >98% 1 In Stock Hong Kong Inquiry
5g >98% 0 Out of Stock Beijing Inquiry

220957-39-1 / 5-bromofuro[2,3-b]pyridine

Standard CAS: 220957-39-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
220957-39-1
Multi CAS
No
Molecular Formula
C7H4BrNO
Molecular Weight
198.020000
Exact Mass
196.947630
SMILES
C1=COC2=NC=C(C=C21)Br
InChI
InChI=1S/C7H4BrNO/c8-6-3-5-1-2-10-7(5)9-4-6/h1-4H
InChIKey
ILFJFOMSHYIUTA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
2
Molar refractivity
41.71
TPSA
26.03

LogP / Solubility

WLOGP
2.59
MLOGP
2.28
XLogP3
2.3
Consensus LogP
2.39
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09

Drug-likeness / Medicinal Chemistry

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

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