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CAS 351002-93-2 4-ETHYNYL-1-FLUORO-2-METHYLBENZENE 97 molecular structure lightbox
CAS RN: 351002-93-2

4-ETHYNYL-1-FLUORO-2-METHYLBENZENE 97

  • Product code: SSC-141860
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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 351002-93-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

351002-93-2 / 4-ethynyl-1-fluoro-2-methylbenzene

Standard CAS: 351002-93-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
351002-93-2
Multi CAS
Yes
Molecular Formula
C9FH7
Molecular Weight
134.150000
Exact Mass
134.053178
InChI
InChI=1S/C9H7F/c1-3-8-4-5-9(10)7(2)6-8/h1,4-6H,2H3
InChIKey
GSGKOWLZNQXGAI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
39.07
TPSA
0.0000

LogP / Solubility

WLOGP
2.12
MLOGP
1.85
XLogP3
2.6
Consensus LogP
2.19
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
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)
-2.04

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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