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CAS 56473-92-8 Thieno[3,2-b]pyridine-5-carboxylic Acid molecular structure lightbox
CAS RN: 56473-92-8

Thieno[3,2-b]pyridine-5-carboxylic Acid

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250514 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS56473-92-8
  • Purity/Analytical Methods: >99.0%
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56473-92-8 / thieno[3,2-b]pyridine-5-carboxylic acid

Standard CAS: 56473-92-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56473-92-8
Multi CAS
No
Molecular Formula
C8H5NO2S
Molecular Weight
179.200000
Exact Mass
179.004100
InChI
InChI=1S/C8H5NO2S/c10-8(11)6-1-2-7-5(9-6)3-4-12-7/h1-4H,(H,10,11)
InChIKey
CWBYTSQAVGCXFW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.58
TPSA
50.19

LogP / Solubility

WLOGP
1.99
MLOGP
1.75
XLogP3
1.8
Consensus LogP
1.85
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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)
-2.4

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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