![CAS 821785-76-6 6H-Pyrazolo[3,4-c]pyridine-3,6-dicarboxylic acid, 1,4,5,7-tetrahydro-, 6-(1,1-dimethylethyl) ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/821785-76-6.gif)
CAS RN: 821785-76-6
6H-Pyrazolo[3,4-c]pyridine-3,6-dicarboxylic acid, 1,4,5,7-tetrahydro-, 6-(1,1-dimethylethyl) 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.20260317 | 5g / 10g / 100g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: SSC-190380
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
821785-76-6 / 6-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid
Basic Information
CAS
821785-76-6
Multi CAS
No
Molecular Formula
C12H17N3O4
Molecular Weight
267.280000
Exact Mass
267.121906
InChI
InChI=1S/C12H17N3O4/c1-12(2,3)19-11(18)15-5-4-7-8(6-15)13-14-9(7)10(16)17/h4-6H2,1-3H3,(H,13,14)(H,16,17)
InChIKey
IHDFHXCBQLIARA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.58
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
65.9
TPSA
95.52
LogP / Solubility
WLOGP
1.4
MLOGP
1.24
XLogP3
0.8
Consensus LogP
1.15
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.36
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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