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CAS 58110-58-0 5-(4-CHLORO-3-TRIFLUOROMETHYL-PHENYL)-FURAN-2-CARBALDEHYDE molecular structure lightbox
CAS RN: 58110-58-0

5-(4-CHLORO-3-TRIFLUOROMETHYL-PHENYL)-FURAN-2-CARBALDEHYDE

  • Product code: SSC-166343
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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: 0.1g
  • 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 58110-58-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

58110-58-0 / 5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carbaldehyde

Standard CAS: 58110-58-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58110-58-0
Multi CAS
Yes
Molecular Formula
C12H6CLF3O2
Molecular Weight
274.620000
Exact Mass
274.000842
InChI
InChI=1S/C12H6ClF3O2/c13-10-3-1-7(5-9(10)12(14,15)16)11-4-2-8(6-17)18-11/h1-6H
InChIKey
ONQGWRANUXCWOH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
59.54
TPSA
30.21

LogP / Solubility

WLOGP
4.43
MLOGP
3.91
XLogP3
4
Consensus LogP
4.11
Log S (ESOL)
-4.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.36
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)
-1.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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