![CAS 1353972-89-0 [1-(6-CyclopropylaMino-pyriMidin-4-yl)-piperidin-3-yl]-carbaMic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB12577411(1).gif)
CAS RN: 1353972-89-0
[1-(6-CyclopropylaMino-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.20251011 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353972-89-0
- Purity/Analytical Methods: >99.0%
1353972-89-0 / tert-butyl N-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]carbamate
Basic Information
CAS
1353972-89-0
Multi CAS
No
Molecular Formula
C17H27N5O2
Molecular Weight
333.400000
Exact Mass
333.216475
SMILES
CC(C)(C)OC(=O)NC1CCCN(C1)C2=NC=NC(=C2)NC3CC3
InChI
InChI=1S/C17H27N5O2/c1-17(2,3)24-16(23)21-13-5-4-8-22(10-13)15-9-14(18-11-19-15)20-12-6-7-12/h9,11-13H,4-8,10H2,1-3H3,(H,21,23)(H,18,19,20)
InChIKey
JQTFQIXIMFJILI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
93.28
TPSA
79.38
LogP / Solubility
WLOGP
2.54
MLOGP
2.26
XLogP3
2.8
Consensus LogP
2.53
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95
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 1353974-36-3 4-[(6-CyclopropylaMino-pyriMidin-4-yl)-Methyl-aMino]-piperidine-1-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB82580838(1).gif)