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CAS 39195-66-9 2-(4-Chlorophenyl)benzofuran molecular structure lightbox
CAS RN: 39195-66-9

2-(4-Chlorophenyl)benzofuran

  • Product code: SSC-146838
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 39195-66-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

39195-66-9 / 2-(4-chlorophenyl)-1-benzofuran

Standard CAS: 39195-66-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
39195-66-9
Multi CAS
No
Molecular Formula
C14H9CLO
Molecular Weight
228.670000
Exact Mass
228.034193
InChI
InChI=1S/C14H9ClO/c15-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9H
InChIKey
PRWRIKBNUNAGTF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
66.66
TPSA
13.14

LogP / Solubility

WLOGP
4.75
MLOGP
4.19
XLogP3
4.6
Consensus LogP
4.51
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.21
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.74

Drug-likeness / Medicinal Chemistry

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

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