[email protected]
CAS 54109-16-9 2-Bromo-2′-(trifluoromethyl)acetophenone molecular structure lightbox
CAS RN: 54109-16-9

2-Bromo-2′-(trifluoromethyl)acetophenone

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250613 250mg / 1g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260502 1g In stock Inquiry
Batchno.20251125 250mg In stock Inquiry
Batchno.20260102 5g In stock Inquiry
  • Product code: SSC-161661
GET A QUOTE
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: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 54109-16-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

54109-16-9 / 2-bromo-1-[2-(trifluoromethyl)phenyl]ethanone

Standard CAS: 54109-16-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54109-16-9
Multi CAS
No
Molecular Formula
BC9H6ORf3
Molecular Weight
267.040000
Exact Mass
265.955410
InChI
InChI=1S/C9H6BrF3O/c10-5-8(14)6-3-1-2-4-7(6)9(11,12)13/h1-4H,5H2
InChIKey
KWZCBMKXNYOQAK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
49.57
TPSA
17.07

LogP / Solubility

WLOGP
3.28
MLOGP
2.9
XLogP3
3.3
Consensus LogP
3.16
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
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)
-2.02

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us