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CAS 175205-88-6 2′,6′-DICHLORO-4′-(TRIFLUOROMETHYL)ACETOPHENONE molecular structure lightbox
CAS RN: 175205-88-6

2′,6′-DICHLORO-4′-(TRIFLUOROMETHYL)ACETOPHENONE

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251025 100mg In stock Inquiry
Batchno.20260319 1g In stock Inquiry
Batchno.20260502 250mg In stock Inquiry
Batchno.20251201 5g In stock Inquiry
  • Product code: SSC-076872
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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: ＞97%
  • 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 175205-88-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

175205-88-6 / 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanone

Standard CAS: 175205-88-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
175205-88-6
Multi CAS
No
Molecular Formula
C9H5Cl2F3O
Molecular Weight
257.030000
Exact Mass
255.966955
SMILES
CC(=O)C1=C(C=C(C=C1Cl)C(F)(F)F)Cl
InChI
InChI=1S/C9H5Cl2F3O/c1-4(15)8-6(10)2-5(3-7(8)11)9(12,13)14/h2-3H,1H3
InChIKey
NREOBJSTBKEWNY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
51.47
TPSA
17.07

LogP / Solubility

WLOGP
4.21
MLOGP
3.72
XLogP3
3.7
Consensus LogP
3.88
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.95
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.3

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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