![CAS 1353989-78-2 [1-(6-Ethoxy-pyriMidin-4-yl)-piperidin-2-ylMethyl]-carbaMic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB02577429(1).gif)
CAS RN: 1353989-78-2
[1-(6-Ethoxy-pyriMidin-4-yl)-piperidin-2-ylMethyl]-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.20260627 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353989-78-2
- Purity/Analytical Methods: >99.0%
1353989-78-2 / tert-butyl N-[[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]methyl]carbamate
Basic Information
CAS
1353989-78-2
Multi CAS
No
Molecular Formula
C17H28N4O3
Molecular Weight
336.400000
Exact Mass
336.216141
SMILES
CCOC1=NC=NC(=C1)N2CCCCC2CNC(=O)OC(C)(C)C
InChI
InChI=1S/C17H28N4O3/c1-5-23-15-10-14(19-12-20-15)21-9-7-6-8-13(21)11-18-16(22)24-17(2,3)4/h10,12-13H,5-9,11H2,1-4H3,(H,18,22)
InChIKey
CWRHWFVPVIMSHA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
92.42
TPSA
76.58
LogP / Solubility
WLOGP
2.76
MLOGP
2.44
XLogP3
2.9
Consensus LogP
2.7
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.74
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)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
Customers Also Viewed
-
4-(6-CyclopropylaMino-2-Methylsulfanyl-pyriMidin-4-ylaMino)-piperidine-1-carboxylic acid tert-butyl ester
- CAS RN: 1353989-79-3
- Product Code: starshine_CAS1353989-79-3
- Purity/Analytical method: >99.0%
-
4-(6-AMino-pyriMidin-4-yloxyMethyl)-piperidine-1-carboxylic acid tert-butyl ester
- CAS RN: 1353989-85-1
- Product Code: starshine_CAS1353989-85-1
- Purity/Analytical method: >99.0%
-
3-[(6-CyclopropylaMino-pyriMidin-4-ylaMino)-Methyl]-piperidine-1-carboxylic acid tert-butyl ester
- CAS RN: 1353989-88-4
- Product Code: SSC-043703
-
(S)-3-(6-CyclopropylaMino-pyriMidin-4-ylaMino)-pyrrolidine-1-carboxylic acid tert-butyl ester
- CAS RN: 1353994-21-4
- Product Code: starshine_CAS1353994-21-4
- Purity/Analytical method: >99.0%
-
(R)-1-(6-Methoxy-2-Methylsulfanyl-pyriMidin-4-yl)-pyrrolidin-3-ol
- CAS RN: 1353995-31-9
- Product Code: starshine_CAS1353995-31-9
- Purity/Analytical method: >99.0%
-
(S)-3-(4-Fluoro-phenylsulfanyl)-pyrrolidine hydrochloride
- CAS RN: 1353995-35-3
- Product Code: starshine_CAS1353995-35-3
- Purity/Analytical method: >99.0%
.gif)
.gif)
![CAS 1353989-88-4 3-[(6-CyclopropylaMino-pyriMidin-4-ylaMino)-Methyl]-piperidine-1-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB32580338(1).gif)
.gif)
.gif)
.gif)