![CAS 1226781-81-2 tert-butyl 1-(methylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1226781-81-2.gif)
CAS RN: 1226781-81-2
tert-butyl 1-(methylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate
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.20260408 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-025793
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 |
1226781-81-2 / tert-butyl 1-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
Basic Information
CAS
1226781-81-2
Multi CAS
No
Molecular Formula
C11H17N3O4S
Molecular Weight
287.340000
Exact Mass
287.093977
SMILES
CC(C)(C)OC(=O)N1CC2=C(C1)N(N=C2)S(=O)(=O)C
InChI
InChI=1S/C11H17N3O4S/c1-11(2,3)18-10(15)13-6-8-5-12-14(9(8)7-13)19(4,16)17/h5H,6-7H2,1-4H3
InChIKey
YQHMKJTVIUNLNL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.64
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
67.95
TPSA
81.5
LogP / Solubility
WLOGP
0.94
MLOGP
0.84
XLogP3
0.2
Consensus LogP
0.66
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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