CAS RN: 434941-55-6
4-(4-Chlorophenyl)-2-methylthiopyrimidine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260530 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS434941-55-6
- Purity/Analytical Methods: >99.0%
434941-55-6 / 4-(4-chlorophenyl)-2-methylsulfanylpyrimidine
Basic Information
CAS
434941-55-6
Multi CAS
No
Molecular Formula
C11H9CLN2S
Molecular Weight
236.720000
Exact Mass
236.017497
InChI
InChI=1S/C11H9ClN2S/c1-15-11-13-7-6-10(14-11)8-2-4-9(12)5-3-8/h2-7H,1H3
InChIKey
GOXDPARPMAHJSL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
64.26
TPSA
25.78
LogP / Solubility
WLOGP
3.52
MLOGP
3.1
XLogP3
3.3
Consensus LogP
3.31
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly 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)
-1.67
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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