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CAS 617706-18-0 1-(4-broMo-2-fluorophenyl)-2,2,2-trifluoroethanone molecular structure lightbox
CAS RN: 617706-18-0

1-(4-broMo-2-fluorophenyl)-2,2,2-trifluoroethanone

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260629 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-170701
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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 617706-18-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

617706-18-0 / 1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethanone

Standard CAS: 617706-18-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
617706-18-0
Multi CAS
No
Molecular Formula
BC8H3ORf4
Molecular Weight
271.010000
Exact Mass
269.930340
InChI
InChI=1S/C8H3BrF4O/c9-4-1-2-5(6(10)3-4)7(14)8(11,12)13/h1-3H
InChIKey
XMFAZNDFEXEANH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
44.49
TPSA
17.07

LogP / Solubility

WLOGP
3.33
MLOGP
2.94
XLogP3
3.5
Consensus LogP
3.26
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.31
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)
-2.01

Drug-likeness / Medicinal Chemistry

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

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