CAS RN: 56734-10-2
2-METHYLSULFANYL-4-PHENYLPYRIMIDINE
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.20250325 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS56734-10-2
- Purity/Analytical Methods: >99.0%
56734-10-2 / 2-methylsulfanyl-4-phenylpyrimidine
Basic Information
CAS
56734-10-2
Multi CAS
No
Molecular Formula
C11H10N2S
Molecular Weight
202.280000
Exact Mass
202.056470
InChI
InChI=1S/C11H10N2S/c1-14-11-12-8-7-10(13-11)9-5-3-2-4-6-9/h2-8H,1H3
InChIKey
LHQHZLLOGPDNGV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
59.25
TPSA
25.78
LogP / Solubility
WLOGP
2.87
MLOGP
2.52
XLogP3
2.7
Consensus LogP
2.7
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
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)
-1.92
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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