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CAS 93258-85-6 4-(4-ETHYLPHENYL)-2(3H)-THIAZOLONE molecular structure lightbox
CAS RN: 93258-85-6

4-(4-ETHYLPHENYL)-2(3H)-THIAZOLONE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260207 50mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS93258-85-6
  • Purity/Analytical Methods: >99.0%
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93258-85-6 / 4-(4-ethylphenyl)-3H-1,3-thiazol-2-one

Standard CAS: 93258-85-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
93258-85-6
Multi CAS
No
Molecular Formula
C11H11NOS
Molecular Weight
205.280000
Exact Mass
205.056135
InChI
InChI=1S/C11H11NOS/c1-2-8-3-5-9(6-4-8)10-7-14-11(13)12-10/h3-7H,2H2,1H3,(H,12,13)
InChIKey
ZSXWPLLSBYUBRV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.75
TPSA
32.86

LogP / Solubility

WLOGP
2.67
MLOGP
2.35
XLogP3
2.7
Consensus LogP
2.57
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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)
-2.08

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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