![CAS 146447-26-9 N-{4-[4-(Piperidinomethyl)pyridyl-2-oxy]-cis-2-butene}phthalimide maleic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/146447-26-9.gif)
CAS RN: 146447-26-9
N-{4-[4-(Piperidinomethyl)pyridyl-2-oxy]-cis-2-butene}phthalimide maleic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250709 | 250mg / 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-057483
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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Beijing | Inquiry |
146447-26-9 / (Z)-but-2-enedioic acid;2-[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]isoindole-1,3-dione
Basic Information
CAS
146447-26-9
Multi CAS
No
Molecular Formula
C27H29N3O7
Molecular Weight
507.500000
Exact Mass
507.200550
SMILES
C1CCN(CC1)CC2=CC(=NC=C2)OC/C=C\CN3C(=O)C4=CC=CC=C4C3=O.C(=C\C(=O)O)\C(=O)O
InChI
InChI=1S/C23H25N3O3.C4H4O4/c27-22-19-8-2-3-9-20(19)23(28)26(22)14-6-7-15-29-21-16-18(10-11-24-21)17-25-12-4-1-5-13-25;5-3(6)1-2-4(7)8/h2-3,6-11,16H,1,4-5,12-15,17H2;1-2H,(H,5,6)(H,7,8)/b7-6-;2-1-
InChIKey
CKMFWYSSYXTDBF-LISDAYIUSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
2
Molar refractivity
134.22
TPSA
137.34
LogP / Solubility
WLOGP
3.01
MLOGP
2.69
XLogP3
3.01
Consensus LogP
2.9
Log S (ESOL)
-4.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.54
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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