CAS RN: 748741-06-2
2-Piperidinone,3-amino-5-hydroxy-,(3S-cis)-(9CI)
- Product code: SSC-184324
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ＞95% | 0 Out of Stock | Beijing | Inquiry |
748741-06-2 / (3S,5R)-3-amino-5-hydroxypiperidin-2-one
Basic Information
CAS
748741-06-2
Multi CAS
Yes
Molecular Formula
C5H10N2O2
Molecular Weight
130.150000
Exact Mass
130.074228
InChI
InChI=1S/C5H10N2O2/c6-4-1-3(8)2-7-5(4)9/h3-4,8H,1-2,6H2,(H,7,9)/t3-,4+/m1/s1
InChIKey
TTXNGYHAVHQESZ-DMTCNVIQSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.8
H-bond acceptors
3
H-bond donors
3
Molar refractivity
31.61
TPSA
75.35
LogP / Solubility
WLOGP
-1.81
MLOGP
-1.6
XLogP3
-1.8
Consensus LogP
-1.74
Log S (ESOL)
0.49
Class (ESOL)
Highly soluble
Log S (Ali)
0.68
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.99
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-4.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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