![CAS 1422344-42-0 Tert-Butyl 4-(6-Bromo-[1,2,4]Triazolo[1,5-A]Pyridin-2-Yl)Piperidine-1-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1422344-42-0.gif)
CAS RN: 1422344-42-0
Tert-Butyl 4-(6-Bromo-[1,2,4]Triazolo[1,5-A]Pyridin-2-Yl)Piperidine-1-Carboxylate
- Product code: SSC-053011
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1422344-42-0 / tert-butyl 4-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxylate
Basic Information
CAS
1422344-42-0
Multi CAS
No
Molecular Formula
C16H21BrN4O2
Molecular Weight
381.270000
Exact Mass
380.084790
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=NN3C=C(C=CC3=N2)Br
InChI
InChI=1S/C16H21BrN4O2/c1-16(2,3)23-15(22)20-8-6-11(7-9-20)14-18-13-5-4-12(17)10-21(13)19-14/h4-5,10-11H,6-9H2,1-3H3
InChIKey
ZALKELBAEIONDI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
9
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
90.47
TPSA
59.73
LogP / Solubility
WLOGP
3.61
MLOGP
3.2
XLogP3
2.9
Consensus LogP
3.24
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.25
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 1422371-27-4 (3aS,8aS)-(+)-4,4,8,8-Tetrakis(3,5-di-i-propylphenyl)tetrahydro-2,2-dimethyl-6-phenyl-1,3-dioxolo[4,5-e]dioxaphosphepin molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1422371-27-4.gif)
