![CAS 1353954-53-6 [1-(6-Ethoxy-pyriMidin-4-yl)-piperidin-3-yl]-carbaMic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB82577430(1).gif)
CAS RN: 1353954-53-6
[1-(6-Ethoxy-pyriMidin-4-yl)-piperidin-3-yl]-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.20251029 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353954-53-6
- Purity/Analytical Methods: >99.0%
1353954-53-6 / tert-butyl N-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]carbamate
Basic Information
CAS
1353954-53-6
Multi CAS
No
Molecular Formula
C16H26N4O3
Molecular Weight
322.400000
Exact Mass
322.200491
SMILES
CCOC1=NC=NC(=C1)N2CCCC(C2)NC(=O)OC(C)(C)C
InChI
InChI=1S/C16H26N4O3/c1-5-22-14-9-13(17-11-18-14)20-8-6-7-12(10-20)19-15(21)23-16(2,3)4/h9,11-12H,5-8,10H2,1-4H3,(H,19,21)
InChIKey
SFTZZCKMERAOJT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.69
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
87.81
TPSA
76.58
LogP / Solubility
WLOGP
2.37
MLOGP
2.1
XLogP3
2.6
Consensus LogP
2.36
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.2
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)
-3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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![CAS 1353958-23-2 1-(6-Methoxy-2-Methylsulfanyl-pyriMidin-4-yl)-[1,4]diazepane hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62578130(1).gif)