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CAS 827-87-2 1-(1-cyclopropylvinyl)-4-fluorobenzene molecular structure lightbox
CAS RN: 827-87-2

1-(1-cyclopropylvinyl)-4-fluorobenzene

  • Product code: SSC-190766
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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 827-87-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

827-87-2 / 1-(1-cyclopropylethenyl)-4-fluorobenzene

Standard CAS: 827-87-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
827-87-2
Multi CAS
Yes
Molecular Formula
C11FH11
Molecular Weight
162.200000
Exact Mass
162.084479
InChI
InChI=1S/C11H11F/c1-8(9-2-3-9)10-4-6-11(12)7-5-10/h4-7,9H,1-3H2
InChIKey
YLAUWEDWRUWPNX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
48.16
TPSA
0.0000

LogP / Solubility

WLOGP
3.25
MLOGP
2.85
XLogP3
4
Consensus LogP
3.37
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly 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)
-1.4

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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