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CAS 18511-60-9 Benzene, 1-cyclopropyl-4-fluoro- molecular structure lightbox
CAS RN: 18511-60-9

Benzene, 1-cyclopropyl-4-fluoro-

  • Product code: SSC-085631
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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 18511-60-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

18511-60-9 / 1-cyclopropyl-4-fluorobenzene

Standard CAS: 18511-60-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18511-60-9
Multi CAS
No
Molecular Formula
C9H9F
Molecular Weight
136.170000
Exact Mass
136.068828
SMILES
C1CC1C2=CC=C(C=C2)F
InChI
InChI=1S/C9H9F/c10-9-5-3-8(4-6-9)7-1-2-7/h3-7H,1-2H2
InChIKey
ZDBHNCUQFBFMFS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
38.38
TPSA
0.0000

LogP / Solubility

WLOGP
2.7
MLOGP
2.37
XLogP3
3.1
Consensus LogP
2.72
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-1.63

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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