![CAS 779353-02-5 2-Piperidineethanol, 1-[3-ethyl-7-[(3-pyridinylMethyl)aMino]pyrazolo[1,5-a]pyriMidin-5-yl]-, (2S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/779353-02-5.gif)
CAS RN: 779353-02-5
2-Piperidineethanol, 1-[3-ethyl-7-[(3-pyridinylMethyl)aMino]pyrazolo[1,5-a]pyriMidin-5-yl]-, (2S)-
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.20251015 | 5mg / 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS779353-02-5
- Purity/Analytical Methods: >99.0%
779353-02-5 / 2-[1-[3-ethyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol
Basic Information
CAS
779353-02-5
Multi CAS
Yes
Molecular Formula
C21H28N6O
Molecular Weight
380.500000
Exact Mass
380.232460
InChI
InChI=1S/C21H28N6O/c1-2-17-15-24-27-19(23-14-16-6-5-9-22-13-16)12-20(25-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12-13,15,18,23,28H,2-4,7-8,10-11,14H2,1H3/t18-/m0/s1
InChIKey
FWKFUJKFJMIJDX-SFHVURJKSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
15
Fraction Csp3
0.48
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
2
Molar refractivity
110.62
TPSA
78.58
LogP / Solubility
WLOGP
3.04
MLOGP
2.7
XLogP3
2.9
Consensus LogP
2.88
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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