![CAS 79039-20-6 7-oxo-2-phenyl-4,7-dihydropyrazolo[1,5-a]pyriMidine-6-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/79039-20-6.gif)
CAS RN: 79039-20-6
7-oxo-2-phenyl-4,7-dihydropyrazolo[1,5-a]pyriMidine-6-carboxylic acid
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.20250304 | 100mg / 250mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS79039-20-6
- Purity/Analytical Methods: >99.0%
79039-20-6 / 7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
Basic Information
CAS
79039-20-6
Multi CAS
Yes
Molecular Formula
C13H9N3O3
Molecular Weight
255.230000
Exact Mass
255.064391
InChI
InChI=1S/C13H9N3O3/c17-12-9(13(18)19)7-14-11-6-10(15-16(11)12)8-4-2-1-3-5-8/h1-7,15H,(H,18,19)
InChIKey
IORCMACWYLXFOF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
68.21
TPSA
87.46
LogP / Solubility
WLOGP
1.39
MLOGP
1.23
XLogP3
1.6
Consensus LogP
1.41
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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- Product Code: starshine_CAS79055-11-1
- Purity/Analytical method: >99.0%
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