![CAS 1309128-62-8 Pyrazolo[1,5-a]pyrazine-2-carboxylic acid, 4,5,6,7-tetrahydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1309128-62-8.gif)
CAS RN: 1309128-62-8
Pyrazolo[1,5-a]pyrazine-2-carboxylic acid, 4,5,6,7-tetrahydro-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260601 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1309128-62-8
- Purity/Analytical Methods: >99.0%
1309128-62-8 / 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
Basic Information
CAS
1309128-62-8
Multi CAS
No
Molecular Formula
C7H9N3O2
Molecular Weight
167.170000
Exact Mass
167.069477
SMILES
C1CN2C(=CC(=N2)C(=O)O)CN1
InChI
InChI=1S/C7H9N3O2/c11-7(12)6-3-5-4-8-1-2-10(5)9-6/h3,8H,1-2,4H2,(H,11,12)
InChIKey
BOPOKWDSMFKQMF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
40.89
TPSA
67.15
LogP / Solubility
WLOGP
-0.32
MLOGP
-0.28
XLogP3
-3.1
Consensus LogP
-1.23
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-0.7
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.6
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)
-3.96
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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