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CAS 1314419-46-9 methyl 2-(4-fluorophenyl)thiazole-4-carboxylate molecular structure lightbox
CAS RN: 1314419-46-9

methyl 2-(4-fluorophenyl)thiazole-4-carboxylate

  • Product code: SSC-038349
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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 1314419-46-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1314419-46-9 / methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

Standard CAS: 1314419-46-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1314419-46-9
Multi CAS
No
Molecular Formula
C11H8FNO2S
Molecular Weight
237.250000
Exact Mass
237.025978
SMILES
COC(=O)C1=CSC(=N1)C2=CC=C(C=C2)F
InChI
InChI=1S/C11H8FNO2S/c1-15-11(14)9-6-16-10(13-9)7-2-4-8(12)5-3-7/h2-6H,1H3
InChIKey
FSVPWBHNWNRJRL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
58.85
TPSA
39.19

LogP / Solubility

WLOGP
2.74
MLOGP
2.41
XLogP3
2.9
Consensus LogP
2.68
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
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)
-2.22

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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