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CAS 19156-51-5 5-ETHYL-3-THIOPHENECARBOXYLIC ACID molecular structure lightbox
CAS RN: 19156-51-5

5-ETHYL-3-THIOPHENECARBOXYLIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250215 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS19156-51-5
  • Purity/Analytical Methods: >99.0%
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19156-51-5 / 5-ethylthiophene-3-carboxylic acid

Standard CAS: 19156-51-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19156-51-5
Multi CAS
No
Molecular Formula
C7H8O2S
Molecular Weight
156.200000
Exact Mass
156.024501
SMILES
CCC1=CC(=CS1)C(=O)O
InChI
InChI=1S/C7H8O2S/c1-2-6-3-5(4-10-6)7(8)9/h3-4H,2H2,1H3,(H,8,9)
InChIKey
WGPALAIKGVKNGT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.66
TPSA
37.3

LogP / Solubility

WLOGP
2.01
MLOGP
1.76
XLogP3
2
Consensus LogP
1.92
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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)
-2.25

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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