![CAS 1187830-91-6 1,2,4,5,6,7-Hexahydropyrazolo[3,4-c]pyridin-3-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1187830-91-6.gif)
CAS RN: 1187830-91-6
1,2,4,5,6,7-Hexahydropyrazolo[3,4-c]pyridin-3-one hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260416 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-018764
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, 1g
- 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.
1187830-91-6 / 1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridin-3-one;hydrochloride
4,5,6,7-Tetrahydro-1H-pyrazolo[3,4-c]pyridin-3(2H)-one hydrochloride | 1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridin-3-one hydrochloride | 1,2,4,5,6,7-Hexahydropyrazolo[3,4-c]pyridin-3-one HCl
Basic Information
CAS
1187830-91-6
Multi CAS
Yes
Molecular Formula
C6H10ClN3O
Molecular Weight
175.610000
Exact Mass
175.051240
SMILES
C1CNCC2=C1C(=O)NN2.Cl
InChI
InChI=1S/C6H9N3O.ClH/c10-6-4-1-2-7-3-5(4)8-9-6;/h7H,1-3H2,(H2,8,9,10);1H
InChIKey
PDVSXYXCJQKNSH-UHFFFAOYSA-N
Synonyms
4,5,6,7-Tetrahydro-1H-pyrazolo[3,4-c]pyridin-3(2H)-one hydrochloride
1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridin-3-one hydrochloride
1,2,4,5,6,7-Hexahydropyrazolo[3,4-c]pyridin-3-one HCl
MFCD12400785
4,5,6,7-Tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-ol hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
2
H-bond donors
3
Molar refractivity
44.07
TPSA
60.68
LogP / Solubility
WLOGP
-0.23
MLOGP
-0.2
XLogP3
-0.23
Consensus LogP
-0.22
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-0.83
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.61
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)
-3.95
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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