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CAS 161772-80-1 2-PYRIDIN-2-YL-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 161772-80-1

2-PYRIDIN-2-YL-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER

  • Product code: SSC-069353
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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 161772-80-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

161772-80-1 / ethyl 2-pyridin-2-yl-1,3-thiazole-4-carboxylate

Standard CAS: 161772-80-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
161772-80-1
Multi CAS
No
Molecular Formula
C11H10N2O2S
Molecular Weight
234.280000
Exact Mass
234.046299
SMILES
CCOC(=O)C1=CSC(=N1)C2=CC=CC=N2
InChI
InChI=1S/C11H10N2O2S/c1-2-15-11(14)9-7-16-10(13-9)8-5-3-4-6-12-8/h3-7H,2H2,1H3
InChIKey
VOEPIFVLNUODAC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
61.3
TPSA
52.08

LogP / Solubility

WLOGP
2.38
MLOGP
2.1
XLogP3
2.1
Consensus LogP
2.19
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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)
-2.46

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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