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CAS 53531-31-0 9-Trifluoroacetylanthracene molecular structure lightbox
CAS RN: 53531-31-0

9-Trifluoroacetylanthracene

Product Availability

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3 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260608 1g Out of stock Inquiry
Batchno.20250130 250mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251205 200mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-160888
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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 53531-31-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

53531-31-0 / 1-anthracen-9-yl-2,2,2-trifluoroethanone

Standard CAS: 53531-31-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53531-31-0
Multi CAS
Yes
Molecular Formula
C16F3H9O
Molecular Weight
274.240000
Exact Mass
274.060549
InChI
InChI=1S/C16H9F3O/c17-16(18,19)15(20)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H
InChIKey
MNCMBBIFTVWHIP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
14
Fraction Csp3
0.06
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
71.84
TPSA
17.07

LogP / Solubility

WLOGP
4.74
MLOGP
4.18
XLogP3
5.3
Consensus LogP
4.74
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.03

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
1.5

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