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CAS 6723-40-6 FLUINDAROL molecular structure lightbox
CAS RN: 6723-40-6

FLUINDAROL

  • Product code: SSC-176877
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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 6723-40-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

6723-40-6 / 2-[4-(trifluoromethyl)phenyl]indene-1,3-dione

Standard CAS: 6723-40-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6723-40-6
Multi CAS
No
Molecular Formula
C16F3H9O2
Molecular Weight
290.240000
Exact Mass
290.055464
InChI
InChI=1S/C16H9F3O2/c17-16(18,19)10-7-5-9(6-8-10)13-14(20)11-3-1-2-4-12(11)15(13)21/h1-8,13H
InChIKey
DGRHWUCYLVPQJY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
69.29
TPSA
34.14

LogP / Solubility

WLOGP
3.87
MLOGP
3.41
XLogP3
3.8
Consensus LogP
3.69
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
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)
-1.74

Drug-likeness / Medicinal Chemistry

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

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