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CAS 199602-12-5 4-(2-FLUORO-5-TRIFLUOROMETHYL-PHENYL)-THIAZOL-2-YLAMINE molecular structure lightbox
CAS RN: 199602-12-5

4-(2-FLUORO-5-TRIFLUOROMETHYL-PHENYL)-THIAZOL-2-YLAMINE

  • Product code: SSC-093960
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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 199602-12-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

199602-12-5 / 4-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

Standard CAS: 199602-12-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
199602-12-5
Multi CAS
No
Molecular Formula
C10H6F4N2S
Molecular Weight
262.230000
Exact Mass
262.018782
SMILES
C1=CC(=C(C=C1C(F)(F)F)C2=CSC(=N2)N)F
InChI
InChI=1S/C10H6F4N2S/c11-7-2-1-5(10(12,13)14)3-6(7)8-4-17-9(15)16-8/h1-4H,(H2,15,16)
InChIKey
FPIUGVQEXYOXEA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.92
TPSA
38.91

LogP / Solubility

WLOGP
3.55
MLOGP
3.13
XLogP3
3.3
Consensus LogP
3.33
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.43
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.8

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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