![CAS 869490-23-3 (3,3-Difluoropyrrolidin-1-yl)[(2S,4S)-4-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/869490-23-3.gif)
CAS RN: 869490-23-3
(3,3-Difluoropyrrolidin-1-yl)[(2S,4S)-4-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251018 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS869490-23-3
- Purity/Analytical Methods: >99.0%
869490-23-3 / (3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-2-yl]methanone
Basic Information
CAS
869490-23-3
Multi CAS
Yes
Molecular Formula
C17F2H24N6O
Molecular Weight
366.400000
Exact Mass
366.197966
InChI
InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1
InChIKey
QWEWGXUTRTXFRF-KBPBESRZSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
92.16
TPSA
64.6
LogP / Solubility
WLOGP
0.2
MLOGP
0.19
XLogP3
0.6
Consensus LogP
0.33
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
Class (SILICOS-IT)
Moderately 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)
-4.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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