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CAS 145300-46-5 2-(4-ETHYLPHENYL)-1,3-THIAZOLANE molecular structure lightbox
CAS RN: 145300-46-5

2-(4-ETHYLPHENYL)-1,3-THIAZOLANE

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250125 100mg In stock Shanghai Inquiry
Batchno.20251022 1g In stock Shanghai Inquiry
Batchno.20250217 250mg In stock Shanghai Inquiry
Batchno.20251113 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS145300-46-5
  • Purity/Analytical Methods: >99.0%
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145300-46-5 / 2-(4-ethylphenyl)-1,3-thiazolidine

Standard CAS: 145300-46-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
145300-46-5
Multi CAS
No
Molecular Formula
C11H15NS
Molecular Weight
193.310000
Exact Mass
193.092521
SMILES
CCC1=CC=C(C=C1)C2NCCS2
InChI
InChI=1S/C11H15NS/c1-2-9-3-5-10(6-4-9)11-12-7-8-13-11/h3-6,11-12H,2,7-8H2,1H3
InChIKey
GNBVTIOCKRYZIB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.02
TPSA
12.03

LogP / Solubility

WLOGP
2.58
MLOGP
2.27
XLogP3
2.3
Consensus LogP
2.38
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
Class (SILICOS-IT)
Poorly 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)
-2.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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