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CAS 25753-16-6 4-Trifluoromethylbenzoic Anhydride molecular structure lightbox
CAS RN: 25753-16-6

4-Trifluoromethylbenzoic Anhydride

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260305 1g In stock Inquiry
Batchno.20260107 25g In stock Inquiry
Batchno.20251101 5g In stock Inquiry
  • Product code: SSC-122244
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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: 10g
  • 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 25753-16-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry

25753-16-6 / [4-(trifluoromethyl)benzoyl] 4-(trifluoromethyl)benzoate

Standard CAS: 25753-16-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25753-16-6
Multi CAS
No
Molecular Formula
C16H8F6O3
Molecular Weight
362.220000
Exact Mass
362.037763
SMILES
C1=CC(=CC=C1C(=O)OC(=O)C2=CC=C(C=C2)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C16H8F6O3/c17-15(18,19)11-5-1-9(2-6-11)13(23)25-14(24)10-3-7-12(8-4-10)16(20,21)22/h1-8H
InChIKey
FNAWJOBKLWLHTA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
72.63
TPSA
43.37

LogP / Solubility

WLOGP
4.72
MLOGP
4.17
XLogP3
5
Consensus LogP
4.63
Log S (ESOL)
-5.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.17
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
Yes
Log Kp (skin permeation)
-1.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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