CAS RN: 1290191-79-5
benzyl (2S,5S)-5-amino-2-methylpiperidine-1-carboxylate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260508 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1290191-79-5
- Purity/Analytical Methods: >99.0%
1290191-79-5 / benzyl (2S,5S)-5-amino-2-methylpiperidine-1-carboxylate
Basic Information
CAS
1290191-79-5
Multi CAS
No
Molecular Formula
C14H20N2O2
Molecular Weight
248.320000
Exact Mass
248.152478
SMILES
C[C@H]1CC[C@@H](CN1C(=O)OCC2=CC=CC=C2)N
InChI
InChI=1S/C14H20N2O2/c1-11-7-8-13(15)9-16(11)14(17)18-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10,15H2,1H3/t11-,13-/m0/s1
InChIKey
MWKAMUJIXBCKIH-AAEUAGOBSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
70
TPSA
55.56
LogP / Solubility
WLOGP
2.13
MLOGP
1.88
XLogP3
1.7
Consensus LogP
1.9
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 1290539-90-0 TERT-BUTYL (1S,4S,5R)-REL-5-AMINO-2-AZABICYCLO[2.2.1]HEPTANE-2-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1290539-90-0.gif)
