Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >97%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 5 In Stock | Shenzhen | Inquiry |
| 0.1g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | -- | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 1g | -- | 5 In Stock | Hong Kong | Inquiry |
| 1g | >97% | 5 In Stock | Shanghai | Inquiry |
1022128-82-0 / 1-(4-aminophenyl)piperazin-2-one
1-(4-AMINOPHENYL)PIPERAZIN-2-ONE | MFCD10568159 | 2-Piperazinone, 1-(4-aminophenyl)-
Basic Information
CAS
1022128-82-0
Multi CAS
Yes
Molecular Formula
C10H13N3O
Molecular Weight
191.230000
Exact Mass
191.105862
SMILES
C1CN(C(=O)CN1)C2=CC=C(C=C2)N
InChI
InChI=1S/C10H13N3O/c11-8-1-3-9(4-2-8)13-6-5-12-7-10(13)14/h1-4,12H,5-7,11H2
InChIKey
MULQTIPGVGXHBL-UHFFFAOYSA-N
Synonyms
1-(4-AMINOPHENYL)PIPERAZIN-2-ONE
MFCD10568159
2-Piperazinone, 1-(4-aminophenyl)-
1-(4-Aminophenyl)-2-piperazinone
SCHEMBL85663
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.08
TPSA
58.36
LogP / Solubility
WLOGP
0.2
MLOGP
0.18
Consensus LogP
0.13
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.19
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)
-3.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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