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CAS 52026-70-7 THIENO[2,3-B]QUINOLINE-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 52026-70-7

THIENO[2,3-B]QUINOLINE-2-CARBOXYLIC ACID

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260127 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS52026-70-7
  • Purity/Analytical Methods: >99.0%
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52026-70-7 / thieno[2,3-b]quinoline-2-carboxylic acid

Standard CAS: 52026-70-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52026-70-7
Multi CAS
No
Molecular Formula
C12H7NO2S
Molecular Weight
229.260000
Exact Mass
229.019750
InChI
InChI=1S/C12H7NO2S/c14-12(15)10-6-8-5-7-3-1-2-4-9(7)13-11(8)16-10/h1-6H,(H,14,15)
InChIKey
FSEPCRFINOFJMC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
13
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.09
TPSA
50.19

LogP / Solubility

WLOGP
3.15
MLOGP
2.77
XLogP3
3.2
Consensus LogP
3.04
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
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)
-1.88

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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