![CAS 718632-46-3 Pyrrolo[3,4-c]pyrazole-2,5(4H,6H)-dicarboxylic acid ,3-amino-6,6-dimethyl-,5-(1,1-dimethylethyl)2-ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/718632-46-3.gif)
CAS RN: 718632-46-3
Pyrrolo[3,4-c]pyrazole-2,5(4H,6H)-dicarboxylic acid ,3-amino-6,6-dimethyl-,5-(1,1-dimethylethyl)2-ethyl ester
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250302 | 100mg / 250mg / 500mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS718632-46-3
- Purity/Analytical Methods: >99.0%
718632-46-3 / 5-O-tert-butyl 2-O-ethyl 3-amino-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole-2,5-dicarboxylate
Basic Information
CAS
718632-46-3
Multi CAS
No
Molecular Formula
C15H24N4O4
Molecular Weight
324.380000
Exact Mass
324.179755
InChI
InChI=1S/C15H24N4O4/c1-7-22-13(21)19-11(16)9-8-18(12(20)23-14(2,3)4)15(5,6)10(9)17-19/h7-8,16H2,1-6H3
InChIKey
ULJAXXIYTXRCKL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
7
H-bond donors
1
Molar refractivity
83.86
TPSA
99.68
LogP / Solubility
WLOGP
2.46
MLOGP
2.18
XLogP3
2
Consensus LogP
2.21
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
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)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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![CAS 718632-47-4 5-tert-butyl 1-ethyl 3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-1,5(4H,6H)-dicarboxylate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
5-tert-butyl 1-ethyl 3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-1,5(4H,6H)-dicarboxylate
- CAS RN: 718632-47-4
- Product Code: starshine_CAS718632-47-4
- Purity/Analytical method: >99.0%
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![CAS 718632-47-4 5-tert-butyl 1-ethyl 3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-1,5(4H,6H)-dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/718632-47-4.gif)
