CAS RN: 2355288-63-8
tert-Butyl (3S,4R)-4-amino-3-methoxypiperidine-1-carboxylate hydrochloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260615 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2355288-63-8
- Purity/Analytical Methods: >99.0%
2355288-63-8 / tert-butyl (3S,4R)-4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride
Basic Information
CAS
2355288-63-8
Multi CAS
No
Molecular Formula
C11H23ClN2O3
Molecular Weight
266.760000
Exact Mass
266.139720
SMILES
CC(C)(C)OC(=O)N1CC[C@H]([C@H](C1)OC)N.Cl
InChI
InChI=1S/C11H22N2O3.ClH/c1-11(2,3)16-10(14)13-6-5-8(12)9(7-13)15-4;/h8-9H,5-7,12H2,1-4H3;1H/t8-,9+;/m1./s1
InChIKey
BNXCTBDXQMLEQA-RJUBDTSPSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.44
TPSA
64.79
LogP / Solubility
WLOGP
1.39
MLOGP
1.23
XLogP3
1.39
Consensus LogP
1.34
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.36
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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