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CAS RN: 1353958-15-2
1-(6-Methoxy-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.20260321 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353958-15-2
- Purity/Analytical Methods: >99.0%
1353958-15-2 / 1-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)piperidin-3-ol
Basic Information
CAS
1353958-15-2
Multi CAS
No
Molecular Formula
C11H17N3O2S
Molecular Weight
255.340000
Exact Mass
255.104148
SMILES
COC1=NC(=NC(=C1)N2CCCC(C2)O)SC
InChI
InChI=1S/C11H17N3O2S/c1-16-10-6-9(12-11(13-10)17-2)14-5-3-4-8(15)7-14/h6,8,15H,3-5,7H2,1-2H3
InChIKey
BEAHREFGHYRVCQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
67.82
TPSA
58.48
LogP / Solubility
WLOGP
1.17
MLOGP
1.03
XLogP3
1.7
Consensus LogP
1.3
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately 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)
-3.45
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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