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CAS 956386-38-2 Benzene, 2-ethynyl-1,4-difluoro- molecular structure lightbox
CAS RN: 956386-38-2

Benzene, 2-ethynyl-1,4-difluoro-

  • Product code: SSC-211161
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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 956386-38-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

956386-38-2 / 2-ethynyl-1,4-difluorobenzene

Standard CAS: 956386-38-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
956386-38-2
Multi CAS
No
Molecular Formula
C8F2H4
Molecular Weight
138.110000
Exact Mass
138.028106
InChI
InChI=1S/C8H4F2/c1-2-6-5-7(9)3-4-8(6)10/h1,3-5H
InChIKey
LKUGAEKNPIPMED-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
34.29
TPSA
0.0000

LogP / Solubility

WLOGP
1.95
MLOGP
1.71
XLogP3
2.4
Consensus LogP
2.02
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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