![CAS 1823389-31-6 Tert-Butyl 3-(Hydroxymethyl)-2-Isopropyl-4,5-Dihydro-2H-Pyrazolo[3,4-C]Pyridine-6(7H)-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823389-31-6.gif)
CAS RN: 1823389-31-6
Tert-Butyl 3-(Hydroxymethyl)-2-Isopropyl-4,5-Dihydro-2H-Pyrazolo[3,4-C]Pyridine-6(7H)-Carboxylate
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.20250706 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1823389-31-6
- Purity/Analytical Methods: >99.0%
1823389-31-6 / tert-butyl 3-(hydroxymethyl)-2-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate
Basic Information
CAS
1823389-31-6
Multi CAS
No
Molecular Formula
C15H25N3O3
Molecular Weight
295.380000
Exact Mass
295.189592
SMILES
CC(C)N1C(=C2CCN(CC2=N1)C(=O)OC(C)(C)C)CO
InChI
InChI=1S/C15H25N3O3/c1-10(2)18-13(9-19)11-6-7-17(8-12(11)16-18)14(20)21-15(3,4)5/h10,19H,6-9H2,1-5H3
InChIKey
RKQVDUMYJJNHBF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
5
Fraction Csp3
0.73
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
78.88
TPSA
67.59
LogP / Solubility
WLOGP
2.25
MLOGP
1.99
XLogP3
0.8
Consensus LogP
1.68
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.92
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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