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 |
875164-29-7 / 1-morpholin-4-yl-2-piperazin-1-ylethane-1,2-dione
Basic Information
CAS
875164-29-7
Multi CAS
No
Molecular Formula
C10H17N3O3
Molecular Weight
227.260000
Exact Mass
227.126991
InChI
InChI=1S/C10H17N3O3/c14-9(12-3-1-11-2-4-12)10(15)13-5-7-16-8-6-13/h11H,1-8H2
InChIKey
XHWMCHIHVJSGRA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56.85
TPSA
61.88
LogP / Solubility
WLOGP
-1.72
MLOGP
-1.51
XLogP3
-1.4
Consensus LogP
-1.54
Log S (ESOL)
-0.16
Class (ESOL)
Very soluble
Log S (Ali)
-0.18
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.29
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)
-5.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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