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CAS 927896-24-0 3-(2-fluoro-4-(trifluoroMethyl)phenyl)-1H-pyrrole-2,5-dione molecular structure lightbox
CAS RN: 927896-24-0

3-(2-fluoro-4-(trifluoroMethyl)phenyl)-1H-pyrrole-2,5-dione

  • Product code: SSC-206600
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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 927896-24-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

927896-24-0 / 3-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrole-2,5-dione

Standard CAS: 927896-24-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
927896-24-0
Multi CAS
No
Molecular Formula
C11F4H5NO2
Molecular Weight
259.160000
Exact Mass
259.025641
InChI
InChI=1S/C11H5F4NO2/c12-8-3-5(11(13,14)15)1-2-6(8)7-4-9(17)16-10(7)18/h1-4H,(H,16,17,18)
InChIKey
UHZSBYCUAZPJBQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.53
TPSA
46.17

LogP / Solubility

WLOGP
1.88
MLOGP
1.67
XLogP3
1.9
Consensus LogP
1.82
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.96

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

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