CAS RN: 932738-80-2

4-(6-ChloropyriMidin-4-yl)-N-Methylthiazol-2-aMine

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Batchno.20251116 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS932738-80-2
  • Purity/Analytical Methods: >99.0%
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932738-80-2 / 4-(6-chloropyrimidin-4-yl)-N-methyl-1,3-thiazol-2-amine

Standard CAS: 932738-80-2 Multi CAS: No

Basic Information

CAS
932738-80-2
Multi CAS
No
Molecular Formula
C8H7CLN4S
Molecular Weight
226.690000
Exact Mass
226.007995
InChI
InChI=1S/C8H7ClN4S/c1-10-8-13-6(3-14-8)5-2-7(9)12-4-11-5/h2-4H,1H3,(H,10,13)
InChIKey
WVOKVBIEELFKFB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
57.7
TPSA
50.7

LogP / Solubility

WLOGP
2.3
MLOGP
2.02
XLogP3
2.2
Consensus LogP
2.17
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
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)
-2.47

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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