![CAS 157327-48-5 2-Methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/157327-48-5.gif)
CAS RN: 157327-48-5
2-Methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole dihydrochloride
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.20251118 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-066360
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: 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
157327-48-5 / 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;dihydrochloride
Basic Information
CAS
157327-48-5
Multi CAS
No
Molecular Formula
C6H11Cl2N3
Molecular Weight
196.070000
Exact Mass
195.033003
SMILES
CN1C=C2CNCC2=N1.Cl.Cl
InChI
InChI=1S/C6H9N3.2ClH/c1-9-4-5-2-7-3-6(5)8-9;;/h4,7H,2-3H2,1H3;2*1H
InChIKey
SSPWHMBFRFNUFK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.25
TPSA
29.85
LogP / Solubility
WLOGP
0.87
MLOGP
0.76
XLogP3
0.87
Consensus LogP
0.83
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
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)
-3.3
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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