CAS RN: 2287346-60-3
tert-butyl (2S,5S)-5-(hydroxymethyl)-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.20250716 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2287346-60-3
- Purity/Analytical Methods: >99.0%
2287346-60-3 / tert-butyl 5-(hydroxymethyl)-2-methylpiperidine-1-carboxylate
Basic Information
CAS
2287346-60-3
Multi CAS
No
Molecular Formula
C12H23NO3
Molecular Weight
229.320000
Exact Mass
229.167794
SMILES
CC1CCC(CN1C(=O)OC(C)(C)C)CO
InChI
InChI=1S/C12H23NO3/c1-9-5-6-10(8-14)7-13(9)11(15)16-12(2,3)4/h9-10,14H,5-8H2,1-4H3/t9-,10-/m0/s1
InChIKey
VOQQCJIHTNEJEK-UWVGGRQHSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.21
TPSA
49.77
LogP / Solubility
WLOGP
2.01
MLOGP
1.78
XLogP3
1.6
Consensus LogP
1.8
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
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)
-2.69
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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