CAS RN: 279247-20-0
TERT-BUTYL (3S,4S)-4-(AMINOMETHYL)-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.20260314 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-128419
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
279247-20-0 / tert-butyl (3S,4S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate
Basic Information
CAS
279247-20-0
Multi CAS
No
Molecular Formula
C11H22N2O3
Molecular Weight
230.300000
Exact Mass
230.163043
SMILES
CC(C)(C)OC(=O)N1CC[C@H]([C@@H](C1)O)CN
InChI
InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-5-4-8(6-12)9(14)7-13/h8-9,14H,4-7,12H2,1-3H3/t8-,9+/m0/s1
InChIKey
GAGALXYDHSHHCD-DTWKUNHWSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
60.98
TPSA
75.79
LogP / Solubility
WLOGP
0.56
MLOGP
0.5
XLogP3
0.5
Consensus LogP
0.52
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
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)
-3.73
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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