![CAS 1196155-05-1 tert-Butyl 3-amino-6-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1196155-05-1.gif)
CAS RN: 1196155-05-1
tert-Butyl 3-amino-6-methyl-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.20251110 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-020250
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 |
1196155-05-1 / tert-butyl 3-amino-6-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate
TERT-BUTYL 3-AMINO-6-METHYL-4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBOXYLATE | MFCD10566541 | tert-butyl 3-amino-6-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate
Basic Information
CAS
1196155-05-1
Multi CAS
Yes
Molecular Formula
C11H18N4O2
Molecular Weight
238.290000
Exact Mass
238.142976
SMILES
CC1C2=C(CN1C(=O)OC(C)(C)C)C(=NN2)N
InChI
InChI=1S/C11H18N4O2/c1-6-8-7(9(12)14-13-8)5-15(6)10(16)17-11(2,3)4/h6H,5H2,1-4H3,(H3,12,13,14)
InChIKey
BXCWXKSMKKEXCN-UHFFFAOYSA-N
Synonyms
TERT-BUTYL 3-AMINO-6-METHYL-4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBOXYLATE
MFCD10566541
tert-butyl 3-amino-6-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate
tert-butyl 3-amino-6-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylate
Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid,
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.64
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
63.19
TPSA
84.24
LogP / Solubility
WLOGP
1.8
MLOGP
1.59
XLogP3
0.6
Consensus LogP
1.33
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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