![CAS 1196155-07-3 tert-butyl 3-amino-6-isopropyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1196155-07-3.gif)
CAS RN: 1196155-07-3
tert-butyl 3-amino-6-isopropyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250203 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-020251
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 5g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1196155-07-3 / tert-butyl 3-amino-6-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate
TERT-BUTYL 3-AMINO-6-ISOPROPYL-4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBOXYLATE | 3-Amino-5-Boc-6-isopropyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole | TERT-BUTYL 3-AMINO-6-ISOPROPYL-4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBOXYLAT
Basic Information
CAS
1196155-07-3
Multi CAS
No
Molecular Formula
C13H22N4O2
Molecular Weight
266.340000
Exact Mass
266.174276
SMILES
CC(C)C1C2=C(CN1C(=O)OC(C)(C)C)C(=NN2)N
InChI
InChI=1S/C13H22N4O2/c1-7(2)10-9-8(11(14)16-15-9)6-17(10)12(18)19-13(3,4)5/h7,10H,6H2,1-5H3,(H3,14,15,16)
InChIKey
BGXWEOOVPZIQDT-UHFFFAOYSA-N
Synonyms
TERT-BUTYL 3-AMINO-6-ISOPROPYL-4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBOXYLATE
3-Amino-5-Boc-6-isopropyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole
TERT-BUTYL 3-AMINO-6-ISOPROPYL-4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBOXYLAT
MFCD10566545
tert-butyl 3-amino-6-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylate
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.69
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
72.36
TPSA
84.24
LogP / Solubility
WLOGP
2.44
MLOGP
2.15
XLogP3
1.5
Consensus LogP
2.03
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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