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CAS 850851-60-4 Thiazole, 4-(2-chloroethyl)- molecular structure lightbox
CAS RN: 850851-60-4

Thiazole, 4-(2-chloroethyl)-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250629 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS850851-60-4
  • Purity/Analytical Methods: >99.0%
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850851-60-4 / 4-(2-chloroethyl)-1,3-thiazole

Standard CAS: 850851-60-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
850851-60-4
Multi CAS
No
Molecular Formula
C5H6CLNS
Molecular Weight
147.630000
Exact Mass
146.990948
InChI
InChI=1S/C5H6ClNS/c6-2-1-5-3-8-4-7-5/h3-4H,1-2H2
InChIKey
SJKXFYXCQCXHIH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
36.54
TPSA
12.89

LogP / Solubility

WLOGP
1.92
MLOGP
1.69
XLogP3
1.8
Consensus LogP
1.8
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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