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CAS 259750-61-3 1-(4-BROMO-2-FLUOROPHENYL)PROPAN-1-ONE molecular structure lightbox
CAS RN: 259750-61-3

1-(4-BROMO-2-FLUOROPHENYL)PROPAN-1-ONE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260509 250mg / 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-122736
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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: 5g
  • 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 259750-61-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

259750-61-3 / 1-(4-bromo-2-fluorophenyl)propan-1-one

Standard CAS: 259750-61-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
259750-61-3
Multi CAS
No
Molecular Formula
BC9H8ORf
Molecular Weight
231.060000
Exact Mass
229.974260
InChI
InChI=1S/C9H8BrFO/c1-2-9(12)7-4-3-6(10)5-8(7)11/h3-5H,2H2,1H3
InChIKey
VAWRVSQLVIYZRK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
48.72
TPSA
17.07

LogP / Solubility

WLOGP
3.18
MLOGP
2.8
XLogP3
2.9
Consensus LogP
2.96
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
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)
-1.87

Drug-likeness / Medicinal Chemistry

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

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