CAS RN: 1092500-89-4
tert-Butyl 4-(4-bromo-5-methylpyrazol-1-yl)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.20260302 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-010463
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: ＞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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1092500-89-4 / tert-butyl 4-(4-bromo-3-methylpyrazol-1-yl)piperidine-1-carboxylate
tert-butyl 4-(4-bromo-3-methyl-pyrazol-1-yl)piperidine-1-carboxylate | tert-Butyl 4-(4-bromo-3-methyl-1H-pyrazol-1-yl)piperidine-1-carboxylate | 1-Boc-4-(4-bromo-3-methyl-1-pyrazolyl)piperidine
Basic Information
CAS
1092500-89-4
Multi CAS
Yes
Molecular Formula
C14H22BrN3O2
Molecular Weight
344.250000
Exact Mass
343.089540
SMILES
CC1=NN(C=C1Br)C2CCN(CC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H22BrN3O2/c1-10-12(15)9-18(16-10)11-5-7-17(8-6-11)13(19)20-14(2,3)4/h9,11H,5-8H2,1-4H3
InChIKey
AJSSJSOFUNJLOX-UHFFFAOYSA-N
Synonyms
tert-butyl 4-(4-bromo-3-methyl-pyrazol-1-yl)piperidine-1-carboxylate
tert-Butyl 4-(4-bromo-3-methyl-1H-pyrazol-1-yl)piperidine-1-carboxylate
1-Boc-4-(4-bromo-3-methyl-1-pyrazolyl)piperidine
MFCD22381939
tert-butyl 4-(4-bromo-3-methylpyrazol-1-yl)piperidine-1-carboxylate
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
5
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
80.74
TPSA
47.36
LogP / Solubility
WLOGP
3.53
MLOGP
3.12
XLogP3
2.7
Consensus LogP
3.12
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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