![CAS 1476799-73-1 methyl 2-(tert-butoxycarbonyl)H-pyrazolo[1,5-a]pyridine-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1476799-73-1.gif)
CAS RN: 1476799-73-1
methyl 2-(tert-butoxycarbonyl)H-pyrazolo[1,5-a]pyridine-3-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.20250806 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1476799-73-1
- Purity/Analytical Methods: >99.0%
1476799-73-1 / methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
Basic Information
CAS
1476799-73-1
Multi CAS
No
Molecular Formula
C14H17N3O4
Molecular Weight
291.300000
Exact Mass
291.121906
SMILES
CC(C)(C)OC(=O)NC1=NN2C=CC=CC2=C1C(=O)OC
InChI
InChI=1S/C14H17N3O4/c1-14(2,3)21-13(19)15-11-10(12(18)20-4)9-7-5-6-8-17(9)16-11/h5-8H,1-4H3,(H,15,16,19)
InChIKey
SXSNUDWUZMDDEO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
76.39
TPSA
81.93
LogP / Solubility
WLOGP
2.47
MLOGP
2.18
XLogP3
2.4
Consensus LogP
2.35
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74
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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