![CAS 1353966-92-3 [1-(6-Methoxy-2-Methylsulfanyl-pyriMidin-4-yl)-piperidin-3-yl]-Methyl-carbaMic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB92577442(1).gif)
CAS RN: 1353966-92-3
[1-(6-Methoxy-2-Methylsulfanyl-pyriMidin-4-yl)-piperidin-3-yl]-Methyl-carbaMic acid tert-butyl ester
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.20260128 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353966-92-3
- Purity/Analytical Methods: >99.0%
1353966-92-3 / tert-butyl N-[1-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-N-methylcarbamate
Basic Information
CAS
1353966-92-3
Multi CAS
No
Molecular Formula
C17H28N4O3S
Molecular Weight
368.500000
Exact Mass
368.188212
SMILES
CC(C)(C)OC(=O)N(C)C1CCCN(C1)C2=CC(=NC(=N2)SC)OC
InChI
InChI=1S/C17H28N4O3S/c1-17(2,3)24-16(22)20(4)12-8-7-9-21(11-12)13-10-14(23-5)19-15(18-13)25-6/h10,12H,7-9,11H2,1-6H3
InChIKey
QCBCEIQQJPERAE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
7
Molar refractivity
99.6
TPSA
67.79
LogP / Solubility
WLOGP
3.04
MLOGP
2.7
XLogP3
3.2
Consensus LogP
2.98
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
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
Yes
Log Kp (skin permeation)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 1353972-68-5 [1-(4-Fluoro-benzenesulfonyl)-piperidin-3-yl]-Methyl-aMine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB52577398(1).gif)