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CAS 24484-55-7 1-(3-Bromopropyl)-4-fluorobenzene molecular structure lightbox
CAS RN: 24484-55-7

1-(3-Bromopropyl)-4-fluorobenzene

  • Product code: SSC-119111
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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 24484-55-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

24484-55-7 / 1-(3-bromopropyl)-4-fluorobenzene

Standard CAS: 24484-55-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24484-55-7
Multi CAS
No
Molecular Formula
C9H10BrF
Molecular Weight
217.080000
Exact Mass
215.994990
SMILES
C1=CC(=CC=C1CCCBr)F
InChI
InChI=1S/C9H10BrF/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6H,1-2,7H2
InChIKey
SCVWLBZEYMAAHN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
48.52
TPSA
0.0000

LogP / Solubility

WLOGP
3.15
MLOGP
2.78
XLogP3
3.4
Consensus LogP
3.11
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly 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)
-1.81

Drug-likeness / Medicinal Chemistry

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

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