![CAS 221148-46-5 2-(4-ETHOXYFENYL)-3-(4-MESYLFENYL)PYRAZOLO[1,5-B]PYRIDAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/221148-46-5.gif)
CAS RN: 221148-46-5
2-(4-ETHOXYFENYL)-3-(4-MESYLFENYL)PYRAZOLO[1,5-B]PYRIDAZINE
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.20250310 | 1mg / 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS221148-46-5
- Purity/Analytical Methods: >99.0%
221148-46-5 / 2-(4-ethoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine
Basic Information
CAS
221148-46-5
Multi CAS
No
Molecular Formula
C21H19N3O3S
Molecular Weight
393.500000
Exact Mass
393.114713
SMILES
CCOC1=CC=C(C=C1)C2=NN3C(=C2C4=CC=C(C=C4)S(=O)(=O)C)C=CC=N3
InChI
InChI=1S/C21H19N3O3S/c1-3-27-17-10-6-16(7-11-17)21-20(19-5-4-14-22-24(19)23-21)15-8-12-18(13-9-15)28(2,25)26/h4-14H,3H2,1-2H3
InChIKey
NXMZBNYLCVTRGB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
21
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
108.14
TPSA
73.56
LogP / Solubility
WLOGP
3.87
MLOGP
3.42
XLogP3
3.5
Consensus LogP
3.6
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.03
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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