![CAS 2357109-89-6 2,6-Piperidinedione, 3-hydroxy-1-[(4-methoxyphenyl)methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2357109-89-6.gif)
CAS RN: 2357109-89-6
2,6-Piperidinedione, 3-hydroxy-1-[(4-methoxyphenyl)methyl]-
- Product code: SSC-114642
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: 0.25g, 1g, 5g, 25g, 100g, 10g
- Available purity: >98%
- 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 |
|---|---|---|---|---|
| 0.25g | >98% | 5 In Stock | Beijing | Inquiry |
| 1g | >98% | 5 In Stock | Shanghai | Inquiry |
| 5g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 25g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 100g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >98% | 4 In Stock | Beijing | Inquiry |
2357109-89-6 / 3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
Basic Information
CAS
2357109-89-6
Multi CAS
No
Molecular Formula
C13H15NO4
Molecular Weight
249.260000
Exact Mass
249.100108
SMILES
COC1=CC=C(C=C1)CN2C(=O)CCC(C2=O)O
InChI
InChI=1S/C13H15NO4/c1-18-10-4-2-9(3-5-10)8-14-12(16)7-6-11(15)13(14)17/h2-5,11,15H,6-8H2,1H3
InChIKey
AXLZMTUJQWSFSF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.79
TPSA
66.84
LogP / Solubility
WLOGP
0.71
MLOGP
0.63
XLogP3
0.4
Consensus LogP
0.58
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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)
-3.74
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
2
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