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CAS 287197-07-3 4-(2-CHLORO-6-FLUORO-PHENYL)-THIAZOL-2-YLAMINE molecular structure lightbox
CAS RN: 287197-07-3

4-(2-CHLORO-6-FLUORO-PHENYL)-THIAZOL-2-YLAMINE

  • Product code: SSC-130371
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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 287197-07-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

287197-07-3 / 4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-amine

Standard CAS: 287197-07-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
287197-07-3
Multi CAS
No
Molecular Formula
C9H6ClFN2S
Molecular Weight
228.670000
Exact Mass
227.992425
InChI
InChI=1S/C9H6ClFN2S/c10-5-2-1-3-6(11)8(5)7-4-14-9(12)13-7/h1-4H,(H2,12,13)
InChIKey
ZGOAYENNMFBAMI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.93
TPSA
38.91

LogP / Solubility

WLOGP
3.18
MLOGP
2.81
XLogP3
3
Consensus LogP
3
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
Class (SILICOS-IT)
Poorly 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)
-1.85

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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