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CAS RN: 1353980-63-8
4-Ethoxy-2-Methylsulfanyl-6-(piperidin-2-ylMethoxy)-pyriMidine hydrochloride
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.20260611 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353980-63-8
- Purity/Analytical Methods: >99.0%
1353980-63-8 / 4-ethoxy-2-methylsulfanyl-6-(piperidin-2-ylmethoxy)pyrimidine;hydrochloride
Basic Information
CAS
1353980-63-8
Multi CAS
No
Molecular Formula
C13H22ClN3O2S
Molecular Weight
319.850000
Exact Mass
319.112126
SMILES
CCOC1=CC(=NC(=N1)SC)OCC2CCCCN2.Cl
InChI
InChI=1S/C13H21N3O2S.ClH/c1-3-17-11-8-12(16-13(15-11)19-2)18-9-10-6-4-5-7-14-10;/h8,10,14H,3-7,9H2,1-2H3;1H
InChIKey
FOJSBSRYMQEBDQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.69
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
83.37
TPSA
56.27
LogP / Solubility
WLOGP
2.54
MLOGP
2.25
XLogP3
2.54
Consensus LogP
2.44
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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