CAS RN: 1448852-06-9

thiazolo[4,5-b]pyridine-6-carboxylic acid

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Batchno.20251206 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1448852-06-9
  • Purity/Analytical Methods: >99.0%
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1448852-06-9 / [1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid

Standard CAS: 1448852-06-9 Multi CAS: No

Basic Information

CAS
1448852-06-9
Multi CAS
No
Molecular Formula
C7H4N2O2S
Molecular Weight
180.190000
Exact Mass
179.999349
SMILES
C1=C(C=NC2=C1SC=N2)C(=O)O
InChI
InChI=1S/C7H4N2O2S/c10-7(11)4-1-5-6(8-2-4)9-3-12-5/h1-3H,(H,10,11)
InChIKey
BIDYOROKRGXBMY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
44.37
TPSA
63.08

LogP / Solubility

WLOGP
1.39
MLOGP
1.22
XLogP3
1.2
Consensus LogP
1.27
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83

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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