.gif)
CAS RN: 1353973-46-2
1-(3-IsopropylaMino-pyrrolidin-1-yl)-ethanone
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.20250708 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353973-46-2
- Purity/Analytical Methods: >99.0%
1353973-46-2 / 1-[3-(propan-2-ylamino)pyrrolidin-1-yl]ethanone
Basic Information
CAS
1353973-46-2
Multi CAS
No
Molecular Formula
C9H18N2O
Molecular Weight
170.250000
Exact Mass
170.141913
SMILES
CC(C)NC1CCN(C1)C(=O)C
InChI
InChI=1S/C9H18N2O/c1-7(2)10-9-4-5-11(6-9)8(3)12/h7,9-10H,4-6H2,1-3H3
InChIKey
OKFGNPSQNOUFMS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.93
TPSA
32.34
LogP / Solubility
WLOGP
0.61
MLOGP
0.53
XLogP3
0.3
Consensus LogP
0.48
Log S (ESOL)
-1.14
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
1-(3-IsopropylaMino-piperidin-1-yl)-ethanone
- CAS RN: 1353973-52-0
- Product Code: SSC-043687
-
(4-Methyl-benzyl)-pyrrolidin-3-yl-aMine hydrochloride
- CAS RN: 1353973-80-4
- Product Code: starshine_CAS1353973-80-4
- Purity/Analytical method: >99.0%
-
1-(2-CyclopropylaMino-6-Methyl-pyriMidin-4-yl)-piperidin-4-ol
- CAS RN: 1353973-87-1
- Product Code: starshine_CAS1353973-87-1
- Purity/Analytical method: >99.0%
-
1-(6-CyclopropylaMino-pyriMidin-4-yl)-pyrrolidin-3-ol
- CAS RN: 1353974-11-4
- Product Code: starshine_CAS1353974-11-4
- Purity/Analytical method: >99.0%
-
4-[(6-CyclopropylaMino-pyriMidin-4-yl)-Methyl-aMino]-piperidine-1-carboxylic acid tert-butyl ester
- CAS RN: 1353974-36-3
- Product Code: starshine_CAS1353974-36-3
- Purity/Analytical method: >99.0%
-
[1-(2-Chloro-pyridine-3-carbonyl)-piperidin-3-ylMethyl]-carbaMic acid tert-butyl ester
- CAS RN: 1353974-41-0
- Product Code: SSC-043688
.gif)
.gif)
.gif)
.gif)
![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)
![CAS 1353974-41-0 [1-(2-Chloro-pyridine-3-carbonyl)-piperidin-3-ylMethyl]-carbaMic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB52577363(1).gif)