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CAS 114498-58-7 Ethyl thiazolo[5,4-c]pyridine-2-carboxylate molecular structure lightbox
CAS RN: 114498-58-7

Ethyl thiazolo[5,4-c]pyridine-2-carboxylate

  • Product code: SSC-014257
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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 114498-58-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

114498-58-7 / ethyl [1,3]thiazolo[5,4-c]pyridine-2-carboxylate

Ethyl thiazolo[5,4-c]pyridine-2-carboxylate | ETHYL [1,3]THIAZOLO[5,4-C]PYRIDINE-2-CARBOXYLATE | SCHEMBL6198615

Standard CAS: 114498-58-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
114498-58-7
Multi CAS
No
Molecular Formula
C9H8N2O2S
Molecular Weight
208.240000
Exact Mass
208.030649
SMILES
CCOC(=O)C1=NC2=C(S1)C=NC=C2
InChI
InChI=1S/C9H8N2O2S/c1-2-13-9(12)8-11-6-3-4-10-5-7(6)14-8/h3-5H,2H2,1H3
InChIKey
NDJJFVWKEXBBNT-UHFFFAOYSA-N
Synonyms
Ethyl thiazolo[5,4-c]pyridine-2-carboxylate ETHYL [1,3]THIAZOLO[5,4-C]PYRIDINE-2-CARBOXYLATE SCHEMBL6198615 NDJJFVWKEXBBNT-UHFFFAOYSA-N MFCD23159397

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
53.37
TPSA
52.08

LogP / Solubility

WLOGP
1.87
MLOGP
1.64
XLogP3
1.9
Consensus LogP
1.8
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately 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)
-2.66

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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