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CAS 34418-48-9 4-METHYL-2-PYRIDIN-2-YL-1,3-THIAZOLE-5-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 34418-48-9

4-METHYL-2-PYRIDIN-2-YL-1,3-THIAZOLE-5-CARBOXYLIC ACID

  • Product code: SSC-140854
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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: ≥97%
  • 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 34418-48-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

34418-48-9 / 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid

Standard CAS: 34418-48-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34418-48-9
Multi CAS
Yes
Molecular Formula
C10H8N2O2S
Molecular Weight
220.250000
Exact Mass
220.030649
InChI
InChI=1S/C10H8N2O2S/c1-6-8(10(13)14)15-9(12-6)7-4-2-3-5-11-7/h2-5H,1H3,(H,13,14)
InChIKey
QFDHWPOPCNNAOI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.04
TPSA
63.08

LogP / Solubility

WLOGP
2.21
MLOGP
1.95
XLogP3
1.8
Consensus LogP
1.99
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.17
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)
-2.49

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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