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CAS 284665-40-3 4-(3,5-BIS-TRIFLUOROMETHYLPHENYL)THIAZOL-2-YLAMINE molecular structure lightbox
CAS RN: 284665-40-3

4-(3,5-BIS-TRIFLUOROMETHYLPHENYL)THIAZOL-2-YLAMINE

  • Product code: SSC-129833
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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 284665-40-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

284665-40-3 / 4-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

Standard CAS: 284665-40-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
284665-40-3
Multi CAS
No
Molecular Formula
C11F6H6N2S
Molecular Weight
312.240000
Exact Mass
312.015588
InChI
InChI=1S/C11H6F6N2S/c12-10(13,14)6-1-5(8-4-20-9(18)19-8)2-7(3-6)11(15,16)17/h1-4H,(H2,18,19)
InChIKey
YXPRLOAPZGLDGA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.97
TPSA
38.91

LogP / Solubility

WLOGP
4.43
MLOGP
3.91
XLogP3
4
Consensus LogP
4.11
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.49
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.48

Drug-likeness / Medicinal Chemistry

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

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