![CAS 197094-20-5 5,6,7,8-Tetrahydro-pyrazolo[1,5-a]azepin-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/197094-20-5.gif)
CAS RN: 197094-20-5
5,6,7,8-Tetrahydro-pyrazolo[1,5-a]azepin-4-one
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.20250811 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-092970
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
197094-20-5 / 5,6,7,8-tetrahydropyrazolo[1,5-a]azepin-4-one
Basic Information
CAS
197094-20-5
Multi CAS
No
Molecular Formula
C8H10N2O
Molecular Weight
150.180000
Exact Mass
150.079313
SMILES
C1CCN2C(=CC=N2)C(=O)C1
InChI
InChI=1S/C8H10N2O/c11-8-3-1-2-6-10-7(8)4-5-9-10/h4-5H,1-3,6H2
InChIKey
YFZJCYRJIJGWDX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
3
Molar refractivity
40.41
TPSA
34.89
LogP / Solubility
WLOGP
1.25
MLOGP
1.09
XLogP3
0.7
Consensus LogP
1.01
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
Class (SILICOS-IT)
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)
-2.75
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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