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CAS 935252-67-8 2-chloro-4-(2,2,2-trifluoroethoxy)pyrimidine molecular structure lightbox
CAS RN: 935252-67-8

2-chloro-4-(2,2,2-trifluoroethoxy)pyrimidine

  • Product code: SSC-207782
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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: ＞97%
  • 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 935252-67-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

935252-67-8 / 2-chloro-4-(2,2,2-trifluoroethoxy)pyrimidine

Standard CAS: 935252-67-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
935252-67-8
Multi CAS
No
Molecular Formula
C6H4CLF3N2O
Molecular Weight
212.560000
Exact Mass
211.996425
InChI
InChI=1S/C6H4ClF3N2O/c7-5-11-2-1-4(12-5)13-3-6(8,9)10/h1-2H,3H2
InChIKey
JBEXWWMOEXZMLL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
38.59
TPSA
35.01

LogP / Solubility

WLOGP
2.07
MLOGP
1.82
XLogP3
2.6
Consensus LogP
2.16
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Poorly 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)
-2.55

Drug-likeness / Medicinal Chemistry

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

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