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CAS 19156-53-7 5,6-Dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid molecular structure lightbox
CAS RN: 19156-53-7

5,6-Dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260524 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS19156-53-7
  • Purity/Analytical Methods: >99.0%
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19156-53-7 / 5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid

Standard CAS: 19156-53-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19156-53-7
Multi CAS
No
Molecular Formula
C8H8O2S
Molecular Weight
168.210000
Exact Mass
168.024501
SMILES
C1CC2=C(C1)SC=C2C(=O)O
InChI
InChI=1S/C8H8O2S/c9-8(10)6-4-11-7-3-1-2-5(6)7/h4H,1-3H2,(H,9,10)
InChIKey
FOEWQEWMTUGMEW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.3
TPSA
37.3

LogP / Solubility

WLOGP
1.94
MLOGP
1.7
XLogP3
1.8
Consensus LogP
1.81
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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)
-2.37

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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