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CAS 52407-43-9 1-BENZOFURAN-3-YLACETONITRILE molecular structure lightbox
CAS RN: 52407-43-9

1-BENZOFURAN-3-YLACETONITRILE

  • Product code: SSC-159512
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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, 0.1g, 0.25g, 5g
  • Available purity: ≥98%
  • Inventory rows with stock: 1
  • 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 52407-43-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 2 In Stock Beijing Inquiry
0.1g ≥98% 0 Out of Stock Hong Kong Inquiry
0.25g ≥98% 0 Out of Stock Shanghai Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry

52407-43-9 / 2-(1-benzofuran-3-yl)acetonitrile

Standard CAS: 52407-43-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52407-43-9
Multi CAS
Yes
Molecular Formula
C10H7NO
Molecular Weight
157.170000
Exact Mass
157.052764
InChI
InChI=1S/C10H7NO/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7H,5H2
InChIKey
BJAJKVZABJZXDC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
45.53
TPSA
36.93

LogP / Solubility

WLOGP
2.5
MLOGP
2.19
XLogP3
2
Consensus LogP
2.23
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately 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)
-1.9

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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