CAS RN: 597544-21-3
NO
Product Availability
Choose a grade to view its available package options.
6 package records0 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251203 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS597544-21-3
- Purity/Analytical Methods: >99.0%
597544-21-3 / 4-[2-[4-(3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
Basic Information
CAS
597544-21-3
Multi CAS
No
Molecular Formula
C23H23N5O2
Molecular Weight
401.500000
Exact Mass
401.185175
InChI
InChI=1S/C23H23N5O2/c1-3-21(30-14-11-27-9-12-29-13-10-27)4-2-18(1)20-15-25-23-22(16-26-28(23)17-20)19-5-7-24-8-6-19/h1-8,15-17H,9-14H2
InChIKey
OOQJIJYKWXLQNC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
21
Fraction Csp3
0.26
Rotatable bonds
6
H-bond acceptors
7
Molar refractivity
114.41
TPSA
64.78
LogP / Solubility
WLOGP
3.17
MLOGP
2.81
XLogP3
2.1
Consensus LogP
2.69
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.62
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)
-2.92
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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- Purity/Analytical method: >99.0%
![CAS 597554-77-3 10,15-Dihydro-2,7,12-triiodo-5,5,10,10,15,15-hexamethyl-5H-tribenzo[a,f,k]trindene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/597554-77-3.gif)