![CAS 2259851-45-9 2,6-Piperidinedione, 3-[[4-(1-piperazinyl)phenyl]amino]-, hydrochloride (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2259851-45-9.gif)
CAS RN: 2259851-45-9
2,6-Piperidinedione, 3-[[4-(1-piperazinyl)phenyl]amino]-, hydrochloride (1:1)
- Product code: SSC-110425
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 | Hong Kong | Inquiry |
2259851-45-9 / 3-(4-piperazin-1-ylanilino)piperidine-2,6-dione;hydrochloride
Basic Information
CAS
2259851-45-9
Multi CAS
No
Molecular Formula
C15H21ClN4O2
Molecular Weight
324.800000
Exact Mass
324.135304
SMILES
C1CC(=O)NC(=O)C1NC2=CC=C(C=C2)N3CCNCC3.Cl
InChI
InChI=1S/C15H20N4O2.ClH/c20-14-6-5-13(15(21)18-14)17-11-1-3-12(4-2-11)19-9-7-16-8-10-19;/h1-4,13,16-17H,5-10H2,(H,18,20,21);1H
InChIKey
GSBVPDDOJXEDFT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
88.57
TPSA
73.47
LogP / Solubility
WLOGP
0.74
MLOGP
0.66
XLogP3
0.74
Consensus LogP
0.71
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately 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)
-4.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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