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CAS 55877-31-1 1-Benzofuran-3-carbonitrile molecular structure lightbox
CAS RN: 55877-31-1

1-Benzofuran-3-carbonitrile

  • Product code: SSC-163830
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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
  • Available purity: ≥95%
  • 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 55877-31-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

55877-31-1 / 1-benzofuran-3-carbonitrile

Standard CAS: 55877-31-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55877-31-1
Multi CAS
No
Molecular Formula
C9H5NO
Molecular Weight
143.140000
Exact Mass
143.037114
InChI
InChI=1S/C9H5NO/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H
InChIKey
VLLADTXGBAUFMW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
Molar refractivity
40.93
TPSA
36.93

LogP / Solubility

WLOGP
2.3
MLOGP
2.02
XLogP3
2
Consensus LogP
2.11
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
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)
-1.96

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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