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CAS 1565712-50-6 2-(2,2-Difluoroethoxy)pyrimidine-5-carbaldehyde molecular structure lightbox
CAS RN: 1565712-50-6

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

  • Product code: SSC-065612
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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 1565712-50-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry

1565712-50-6 / 2-(2,2-difluoroethoxy)pyrimidine-5-carbaldehyde

Standard CAS: 1565712-50-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1565712-50-6
Multi CAS
No
Molecular Formula
C7H6F2N2O2
Molecular Weight
188.130000
Exact Mass
188.039734
SMILES
C1=C(C=NC(=N1)OCC(F)F)C=O
InChI
InChI=1S/C7H6F2N2O2/c8-6(9)4-13-7-10-1-5(3-12)2-11-7/h1-3,6H,4H2
InChIKey
YGXNVYRYPBDKPA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
38.92
TPSA
52.08

LogP / Solubility

WLOGP
0.93
MLOGP
0.82
XLogP3
0.8
Consensus LogP
0.85
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.14
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)
-3.21

Drug-likeness / Medicinal Chemistry

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

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