![CAS 258353-57-0 1,4,6,7-Tetrahydropyrano[4,3-c]pyrazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/258353-57-0.gif)
CAS RN: 258353-57-0
1,4,6,7-Tetrahydropyrano[4,3-c]pyrazole
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.20250801 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS258353-57-0
- Purity/Analytical Methods: >99.0%
258353-57-0 / 1,4,6,7-tetrahydropyrano[3,4-d]pyrazole
Basic Information
CAS
258353-57-0
Multi CAS
No
Molecular Formula
C6H8N2O
Molecular Weight
124.140000
Exact Mass
124.063663
SMILES
C1COCC2=C1NN=C2
InChI
InChI=1S/C6H8N2O/c1-2-9-4-5-3-7-8-6(1)5/h3H,1-2,4H2,(H,7,8)
InChIKey
BVXUWXXNYXLXCQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
31.95
TPSA
37.91
LogP / Solubility
WLOGP
0.48
MLOGP
0.42
XLogP3
-0.1
Consensus LogP
0.27
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.87
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)
-3.13
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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