![CAS 1816271-94-9 5H-Pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid, 1,4,6,7-tetrahydro-7-methyl-, 5-(1,1-dimethylethyl) 3-ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1816271-94-9.gif)
CAS RN: 1816271-94-9
5H-Pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid, 1,4,6,7-tetrahydro-7-methyl-, 5-(1,1-dimethylethyl) 3-ethyl ester
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.20250624 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-082521
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 | Shanghai | Inquiry |
1816271-94-9 / 5-O-tert-butyl 3-O-ethyl 7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-3,5-dicarboxylate
Basic Information
CAS
1816271-94-9
Multi CAS
No
Molecular Formula
C15H23N3O4
Molecular Weight
309.360000
Exact Mass
309.168856
SMILES
CCOC(=O)C1=NNC2=C1CN(CC2C)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H23N3O4/c1-6-21-13(19)12-10-8-18(14(20)22-15(3,4)5)7-9(2)11(10)16-17-12/h9H,6-8H2,1-5H3,(H,16,17)
InChIKey
RPWHZIPYPPDGDY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
79.6
TPSA
84.52
LogP / Solubility
WLOGP
2.44
MLOGP
2.16
XLogP3
1.9
Consensus LogP
2.17
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
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)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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