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CAS 450-29-3 4-(4-FLUORO-PHENYL)-2-METHYL-THIAZOLE molecular structure lightbox
CAS RN: 450-29-3

4-(4-FLUORO-PHENYL)-2-METHYL-THIAZOLE

  • Product code: SSC-152871
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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: 0.25g
  • 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 450-29-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

450-29-3 / 4-(4-fluorophenyl)-2-methyl-1,3-thiazole

Standard CAS: 450-29-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
450-29-3
Multi CAS
Yes
Molecular Formula
C10FH8NS
Molecular Weight
193.240000
Exact Mass
193.036149
InChI
InChI=1S/C10H8FNS/c1-7-12-10(6-13-7)8-2-4-9(11)5-3-8/h2-6H,1H3
InChIKey
BVTLCUSPIGZVKE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
52.25
TPSA
12.89

LogP / Solubility

WLOGP
3.26
MLOGP
2.87
XLogP3
3.1
Consensus LogP
3.08
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.59

Drug-likeness / Medicinal Chemistry

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

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