![CAS 1062368-49-3 5-[6-(4-Methoxyphenyl)pyrazolo[1,5-a] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1062368-49-3.gif)
CAS RN: 1062368-49-3
5-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260102 | 1mg / 5mg / 25mg | Confirm by inquiry | Shandong | 5-7 business days | Inquiry |
- Product code: starshine_CAS1062368-49-3
- Purity/Analytical Methods: >99.0%
1062368-49-3 / 5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
ML347 | 5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline | 5-(6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl)quinoline
Basic Information
CAS
1062368-49-3
Multi CAS
No
Molecular Formula
C22H16N4O
Molecular Weight
352.400000
Exact Mass
352.132411
SMILES
COC1=CC=C(C=C1)C2=CN3C(=C(C=N3)C4=C5C=CC=NC5=CC=C4)N=C2
InChI
InChI=1S/C22H16N4O/c1-27-17-9-7-15(8-10-17)16-12-24-22-20(13-25-26(22)14-16)18-4-2-6-21-19(18)5-3-11-23-21/h2-14H,1H3
InChIKey
FVRYPYDPKSZGNS-UHFFFAOYSA-N
Synonyms
ML347
5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
5-(6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl)quinoline
5-(6-(4-methoxyphenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
RefChem:159249
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
25
Fraction Csp3
0.05
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
105.71
TPSA
52.31
LogP / Solubility
WLOGP
4.62
MLOGP
4.08
XLogP3
3.8
Consensus LogP
4.17
Log S (ESOL)
-5.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.15
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)
-1.59
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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![CAS 1062517-17-2 4-CHLORO-6,7-DIMETHYL-5H-PYRROLO[3,2-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1062517-17-2.gif)