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CAS RN: 1353954-83-2
1-(6-Ethoxy-2-Methylsulfanyl-pyriMidin-4-yl)-piperidin-3-ol
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.20250809 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353954-83-2
- Purity/Analytical Methods: >99.0%
1353954-83-2 / 1-(6-ethoxy-2-methylsulfanylpyrimidin-4-yl)piperidin-3-ol
Basic Information
CAS
1353954-83-2
Multi CAS
No
Molecular Formula
C12H19N3O2S
Molecular Weight
269.370000
Exact Mass
269.119798
SMILES
CCOC1=NC(=NC(=C1)N2CCCC(C2)O)SC
InChI
InChI=1S/C12H19N3O2S/c1-3-17-11-7-10(13-12(14-11)18-2)15-6-4-5-9(16)8-15/h7,9,16H,3-6,8H2,1-2H3
InChIKey
MFTGPKXADCKAQF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
72.44
TPSA
58.48
LogP / Solubility
WLOGP
1.56
MLOGP
1.38
XLogP3
2
Consensus LogP
1.65
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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