![CAS 398491-64-0 TERT-BUTYL 3-AMINO-6,7-DIHYDRO-1H-PYRAZOLO[4,3-C]PYRIDINE-5(4H)-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/398491-64-0.gif)
CAS RN: 398491-64-0
TERT-BUTYL 3-AMINO-6,7-DIHYDRO-1H-PYRAZOLO[4,3-C]PYRIDINE-5(4H)-CARBOXYLATE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251219 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-147621
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
398491-64-0 / tert-butyl 3-amino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
Basic Information
CAS
398491-64-0
Multi CAS
No
Molecular Formula
C11H18N4O2
Molecular Weight
238.290000
Exact Mass
238.142976
InChI
InChI=1S/C11H18N4O2/c1-11(2,3)17-10(16)15-5-4-8-7(6-15)9(12)14-13-8/h4-6H2,1-3H3,(H3,12,13,14)
InChIKey
AHGNLFYXPZBDMS-UHFFFAOYSA-N
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
63.35
TPSA
84.24
LogP / Solubility
WLOGP
1.29
MLOGP
1.14
XLogP3
0.6
Consensus LogP
1.01
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 398495-65-3 1-ETHYLOXYCARBONYL-5-BOC-3-AMINO-4,6-DIHYDRO-PYRROLO[3,4-C]PYRAZOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/398495-65-3.gif)
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