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CAS 1646-26-0 2-Acetylbenzofuran molecular structure lightbox
CAS RN: 1646-26-0

2-Acetylbenzofuran

  • Product code: SSC-071949
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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
  • Available purity: ≥99%
  • Inventory rows with stock: 2
  • 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 1646-26-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥99% 5 In Stock Shanghai Inquiry
5g ≥99% 3 In Stock Beijing Inquiry
10g ≥99% 0 Out of Stock Shanghai Inquiry
25g ≥99% 0 Out of Stock Shanghai Inquiry

1646-26-0 / 1-(1-benzofuran-2-yl)ethanone

Standard CAS: 1646-26-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1646-26-0
Multi CAS
No
Molecular Formula
C10H8O2
Molecular Weight
160.170000
Exact Mass
160.052429
SMILES
CC(=O)C1=CC2=CC=CC=C2O1
InChI
InChI=1S/C10H8O2/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-6H,1H3
InChIKey
YUTFQTAITWWGFH-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
46.22
TPSA
30.21

LogP / Solubility

WLOGP
2.64
MLOGP
2.31
XLogP3
2.6
Consensus LogP
2.52
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
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)
-1.83

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (99.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501

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