CAS RN: 959617-87-9
(3R,4R)-benzyl 4-aMino-3-hydroxypiperidine-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.20260206 | 1g / 5g / 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS959617-87-9
- Purity/Analytical Methods: >99.0%
959617-87-9 / benzyl 4-amino-3-hydroxypiperidine-1-carboxylate
Basic Information
CAS
959617-87-9
Multi CAS
Yes
Molecular Formula
C13H18N2O3
Molecular Weight
250.290000
Exact Mass
250.131742
InChI
InChI=1S/C13H18N2O3/c14-11-6-7-15(8-12(11)16)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,16H,6-9,14H2/t11-,12-/m1/s1
InChIKey
IRKGMFWANMCSOS-VXGBXAGGSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
66.8
TPSA
75.79
LogP / Solubility
WLOGP
0.72
MLOGP
0.64
XLogP3
0.3
Consensus LogP
0.55
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.12
Class (SILICOS-IT)
Moderately 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)
-3.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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