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CAS 881674-60-8 5-[2-(Trifluoromethyl)phenyl]-1H-pyrrole-3-carbaldehyde molecular structure lightbox
CAS RN: 881674-60-8

5-[2-(Trifluoromethyl)phenyl]-1H-pyrrole-3-carbaldehyde

  • Product code: SSC-198672
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 881674-60-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 1 In Stock Hong Kong Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

881674-60-8 / 5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carbaldehyde

Standard CAS: 881674-60-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
881674-60-8
Multi CAS
No
Molecular Formula
C12F3H8NO
Molecular Weight
239.190000
Exact Mass
239.055798
InChI
InChI=1S/C12H8F3NO/c13-12(14,15)10-4-2-1-3-9(10)11-5-8(7-17)6-16-11/h1-7,16H
InChIKey
ROVODVNBNIDQJF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.62
TPSA
32.86

LogP / Solubility

WLOGP
3.51
MLOGP
3.1
XLogP3
2.7
Consensus LogP
3.1
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68

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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