CAS RN: 1266118-78-8
1-Piperidinecarboxylic acid, 4-(6-chloro-2-pyridinyl)-, 1,1-dimethylethyl ester
- Product code: SSC-033655
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 1g, 5g, 10g, 25g, 100g, 500g
- Available purity: >98%
- Inventory rows with stock: 7
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | >98% | 5 In Stock | Beijing | Inquiry |
| 1g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 5g | >98% | 5 In Stock | Shanghai | Inquiry |
| 10g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 25g | >98% | 5 In Stock | Shanghai | Inquiry |
| 100g | >98% | 5 In Stock | Shanghai | Inquiry |
| 500g | >98% | 5 In Stock | Beijing | Inquiry |
1266118-78-8 / tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
Basic Information
CAS
1266118-78-8
Multi CAS
No
Molecular Formula
C15H21ClN2O2
Molecular Weight
296.790000
Exact Mass
296.129156
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CC=C2)Cl
InChI
InChI=1S/C15H21ClN2O2/c1-15(2,3)20-14(19)18-9-7-11(8-10-18)12-5-4-6-13(16)17-12/h4-6,11H,7-10H2,1-3H3
InChIKey
YAWLZFBIZMMVLI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
79.03
TPSA
42.43
LogP / Solubility
WLOGP
3.85
MLOGP
3.4
XLogP3
3.3
Consensus LogP
3.52
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
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)
-1.8
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
1.5
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