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 | Hong Kong | Inquiry |
480450-36-0 / tert-butyl (3S,4R)-3,4-diaminopiperidine-1-carboxylate
Basic Information
CAS
480450-36-0
Multi CAS
Yes
Molecular Formula
C10H21N3O2
Molecular Weight
215.290000
Exact Mass
215.163377
InChI
InChI=1S/C10H21N3O2/c1-10(2,3)15-9(14)13-5-4-7(11)8(12)6-13/h7-8H,4-6,11-12H2,1-3H3/t7-,8+/m1/s1
InChIKey
UJLDFDMDAGJZSV-SFYZADRCSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
58.37
TPSA
81.58
LogP / Solubility
WLOGP
0.28
MLOGP
0.25
XLogP3
-0.5
Consensus LogP
0.01
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.83
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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