![CAS 1630933-28-6 4-methyl-7-oxo-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1630933-28-6.gif)
CAS RN: 1630933-28-6
4-methyl-7-oxo-pyrazolo[1,5-a]pyrimidine-3-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.20251114 | 100mg / 250mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1630933-28-6
- Purity/Analytical Methods: >99.0%
1630933-28-6 / 4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Basic Information
CAS
1630933-28-6
Multi CAS
No
Molecular Formula
C8H7N3O3
Molecular Weight
193.160000
Exact Mass
193.048741
SMILES
CN1C=CC(=O)N2C1=C(C=N2)C(=O)O
InChI
InChI=1S/C8H7N3O3/c1-10-3-2-6(12)11-7(10)5(4-9-11)8(13)14/h2-4H,1H3,(H,13,14)
InChIKey
LJSJFVNKJQLFGY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
47.39
TPSA
76.6
LogP / Solubility
WLOGP
-0.27
MLOGP
-0.24
Consensus LogP
-0.17
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.81
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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