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CAS 944904-99-8 2-(2,2,2-Trifluoroethoxy)pyrimidine-5-carbaldehyde molecular structure lightbox
CAS RN: 944904-99-8

2-(2,2,2-Trifluoroethoxy)pyrimidine-5-carbaldehyde

  • Product code: SSC-209507
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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: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 944904-99-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 3 In Stock Shanghai Inquiry
0.25g ≥95% 3 In Stock Shanghai Inquiry
1g ≥95% 2 In Stock Shenzhen Inquiry

944904-99-8 / 2-(2,2,2-trifluoroethoxy)pyrimidine-5-carbaldehyde

Standard CAS: 944904-99-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
944904-99-8
Multi CAS
No
Molecular Formula
C7F3H5N2O2
Molecular Weight
206.120000
Exact Mass
206.030312
InChI
InChI=1S/C7H5F3N2O2/c8-7(9,10)4-14-6-11-1-5(3-13)2-12-6/h1-3H,4H2
InChIKey
UAQONXUVNOEMAC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
38.97
TPSA
52.08

LogP / Solubility

WLOGP
1.23
MLOGP
1.08
XLogP3
1.1
Consensus LogP
1.14
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.1

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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