![CAS 26646-63-9 2-[2-(2-METHOXY-PHENOXY)-ETHYL]-ISOINDOLE-1,3-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/26646-63-9.gif)
CAS RN: 26646-63-9
2-[2-(2-METHOXY-PHENOXY)-ETHYL]-ISOINDOLE-1,3-DIONE
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.20260316 | 25mg / 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-124713
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 |
26646-63-9 / 2-[2-(2-methoxyphenoxy)ethyl]isoindole-1,3-dione
Basic Information
CAS
26646-63-9
Multi CAS
No
Molecular Formula
C17H15NO4
Molecular Weight
297.300000
Exact Mass
297.100108
SMILES
COC1=CC=CC=C1OCCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H15NO4/c1-21-14-8-4-5-9-15(14)22-11-10-18-16(19)12-6-2-3-7-13(12)17(18)20/h2-9H,10-11H2,1H3
InChIKey
WRBSZMMWHCAUKD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
80.3
TPSA
55.84
LogP / Solubility
WLOGP
2.37
MLOGP
2.1
XLogP3
2.5
Consensus LogP
2.32
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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