![CAS 877399-39-8 tert-butyl 4-hydroxy-4-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]methyl}piperidine-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/877399-39-8.gif)
CAS RN: 877399-39-8
tert-butyl 4-hydroxy-4-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]methyl}piperidine-1-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.20260131 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS877399-39-8
- Purity/Analytical Methods: >99.0%
877399-39-8 / tert-butyl 4-hydroxy-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]piperidine-1-carboxylate
Basic Information
CAS
877399-39-8
Multi CAS
No
Molecular Formula
BC20H34N3O5
Molecular Weight
407.300000
Exact Mass
407.259151
InChI
InChI=1S/C20H34BN3O5/c1-17(2,3)27-16(25)23-10-8-20(26,9-11-23)14-24-13-15(12-22-24)21-28-18(4,5)19(6,7)29-21/h12-13,26H,8-11,14H2,1-7H3
InChIKey
DYVKOEMHWHUYTB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
5
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
1
Molar refractivity
109.93
TPSA
86.05
LogP / Solubility
WLOGP
1.94
MLOGP
1.74
XLogP3
1.94
Consensus LogP
1.87
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.28
Class (SILICOS-IT)
Slightly 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)
-3.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 877401-26-8 tert-butyl 4-[(4-bromo-1H-pyrazol-1-yl)methyl]piperidine-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/877401-26-8.gif)