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CAS 885277-01-0 2-CHLORO-4-(2,2,2-TRIFLUORO-ETHOXY)-PYRIDINE molecular structure lightbox
CAS RN: 885277-01-0

2-CHLORO-4-(2,2,2-TRIFLUORO-ETHOXY)-PYRIDINE

  • Product code: SSC-199378
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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: ≥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 885277-01-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

885277-01-0 / 2-chloro-4-(2,2,2-trifluoroethoxy)pyridine

Standard CAS: 885277-01-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
885277-01-0
Multi CAS
No
Molecular Formula
C7H5CLF3NO
Molecular Weight
211.570000
Exact Mass
211.001176
InChI
InChI=1S/C7H5ClF3NO/c8-6-3-5(1-2-12-6)13-4-7(9,10)11/h1-3H,4H2
InChIKey
AEIHRRMIARXQBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
40.8
TPSA
22.12

LogP / Solubility

WLOGP
2.68
MLOGP
2.36
XLogP3
2.9
Consensus LogP
2.65
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
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)
-2.11

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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