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CAS RN: 1353965-30-6
3-Chloro-piperidine-1-carboxylic acid benzyl ester
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251116 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250123 | 1g | In stock | Shanghai, Wuhan, Chengdu | Inquiry |
| Batchno.20260326 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250514 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS1353965-30-6
- Purity/Analytical Methods: >99.0%
1353965-30-6 / benzyl 3-chloropiperidine-1-carboxylate
Basic Information
CAS
1353965-30-6
Multi CAS
No
Molecular Formula
C13H16ClNO2
Molecular Weight
253.720000
Exact Mass
253.086956
SMILES
C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)Cl
InChI
InChI=1S/C13H16ClNO2/c14-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChIKey
MTEPMPARHBCILW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
67.08
TPSA
29.54
LogP / Solubility
WLOGP
3.03
MLOGP
2.67
XLogP3
2.8
Consensus LogP
2.83
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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