![CAS 752176-43-5 Pyrrolo[3,4-c]pyrazole, 2,4,5,6-tetrahydro-2-methyl- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/752176-43-5.gif)
CAS RN: 752176-43-5
Pyrrolo[3,4-c]pyrazole, 2,4,5,6-tetrahydro-2-methyl- (9CI)
- Product code: SSC-184701
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 | Shenzhen | Inquiry |
752176-43-5 / 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
Basic Information
CAS
752176-43-5
Multi CAS
No
Molecular Formula
C6H9N3
Molecular Weight
123.160000
Exact Mass
123.079647
InChI
InChI=1S/C6H9N3/c1-9-4-5-2-7-3-6(5)8-9/h4,7H,2-3H2,1H3
InChIKey
FTGAGZCMKGIHMK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
33.75
TPSA
29.85
LogP / Solubility
WLOGP
0.02
MLOGP
0.01
XLogP3
-0.8
Consensus LogP
-0.26
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-0.59
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.48
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)
-3.45
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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![CAS 752234-60-9 TERT-BUTYL 1,3-DIOXO-2,8-DIAZASPIRO[4.5]DECANE-8-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/752234-60-9.gif)
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