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CAS 64024-47-1 methyl 4-methyl-1,2-thiazole-3-carboxylate molecular structure lightbox
CAS RN: 64024-47-1

methyl 4-methyl-1,2-thiazole-3-carboxylate

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Batchno.20260405 50mg Out of stock Inquiry
  • Product code: starshine_CAS64024-47-1
  • Purity/Analytical Methods: >99.0%
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64024-47-1 / methyl 4-methyl-1,2-thiazole-3-carboxylate

Standard CAS: 64024-47-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
64024-47-1
Multi CAS
No
Molecular Formula
C6H7NO2S
Molecular Weight
157.190000
Exact Mass
157.019750
InChI
InChI=1S/C6H7NO2S/c1-4-3-10-7-5(4)6(8)9-2/h3H,1-2H3
InChIKey
GJGSPBFXVYMDMD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
38.19
TPSA
39.19

LogP / Solubility

WLOGP
1.24
MLOGP
1.08
XLogP3
1.5
Consensus LogP
1.27
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
Class (SILICOS-IT)
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)
-2.8

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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