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CAS 21221-93-2 3,5-BIS(TRIFLUOROMETHYL)BENZOPHENONE molecular structure lightbox
CAS RN: 21221-93-2

3,5-BIS(TRIFLUOROMETHYL)BENZOPHENONE

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251020 1g In stock Shanghai Inquiry
Batchno.20260427 25g Out of stock Inquiry
Batchno.20260524 5g In stock Shanghai, Tianjin, Chengdu Inquiry
  • Product code: SSC-101370
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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: 25g
  • 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 21221-93-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

21221-93-2 / [3,5-bis(trifluoromethyl)phenyl]-phenylmethanone

Standard CAS: 21221-93-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21221-93-2
Multi CAS
No
Molecular Formula
C15H8F6O
Molecular Weight
318.210000
Exact Mass
318.047934
SMILES
C1=CC=C(C=C1)C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C15H8F6O/c16-14(17,18)11-6-10(7-12(8-11)15(19,20)21)13(22)9-4-2-1-3-5-9/h1-8H
InChIKey
QETSMUIBVUASOJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
66.32
TPSA
17.07

LogP / Solubility

WLOGP
4.96
MLOGP
4.37
XLogP3
5
Consensus LogP
4.78
Log S (ESOL)
-5.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.08
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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