CAS RN: 99161-57-6
4-(PIPERAZIN-1-YLCARBONYL)MORPHOLINE HYDROCHLORIDE
- Product code: SSC-213014
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: 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 |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
99161-57-6 / morpholin-4-yl(piperazin-1-yl)methanone;hydrochloride
Basic Information
CAS
99161-57-6
Multi CAS
No
Molecular Formula
C9H18CLN3O2
Molecular Weight
235.710000
Exact Mass
235.108755
InChI
InChI=1S/C9H17N3O2.ClH/c13-9(11-3-1-10-2-4-11)12-5-7-14-8-6-12;/h10H,1-8H2;1H
InChIKey
BKXMOLFRUBWSKL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.89
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.48
TPSA
44.81
LogP / Solubility
WLOGP
-0.23
MLOGP
-0.2
XLogP3
-0.23
Consensus LogP
-0.22
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1
Class (SILICOS-IT)
Very 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)
-4.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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