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CAS RN: 1361118-66-2
4-(6-Chloro-2-methyl-pyrimidin-4-yl)-piperidine-1-carboxylic acid tert-butyl ester
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.20250521 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-044987
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1361118-66-2 / tert-butyl 4-(6-chloro-2-methylpyrimidin-4-yl)piperidine-1-carboxylate
Basic Information
CAS
1361118-66-2
Multi CAS
No
Molecular Formula
C15H22ClN3O2
Molecular Weight
311.810000
Exact Mass
311.140055
SMILES
CC1=NC(=CC(=N1)Cl)C2CCN(CC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H22ClN3O2/c1-10-17-12(9-13(16)18-10)11-5-7-19(8-6-11)14(20)21-15(2,3)4/h9,11H,5-8H2,1-4H3
InChIKey
WHNSUCDCHCPAPB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
81.56
TPSA
55.32
LogP / Solubility
WLOGP
3.55
MLOGP
3.14
XLogP3
3
Consensus LogP
3.23
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
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)
-2.1
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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