CAS RN: 156581-14-5
(E)-Methyl 2-(2-(((1,3-dioxoisoindolin-2-yl) oxy)methyl)phenyl)-2-(methoxyimino)aceta te
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.20260608 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-065630
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
156581-14-5 / methyl (2E)-2-[2-[(1,3-dioxoisoindol-2-yl)oxymethyl]phenyl]-2-methoxyiminoacetate
Basic Information
CAS
156581-14-5
Multi CAS
No
Molecular Formula
C19H16N2O6
Molecular Weight
368.300000
Exact Mass
368.100836
SMILES
COC(=O)/C(=N/OC)/C1=CC=CC=C1CON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C19H16N2O6/c1-25-19(24)16(20-26-2)13-8-4-3-7-12(13)11-27-21-17(22)14-9-5-6-10-15(14)18(21)23/h3-10H,11H2,1-2H3/b20-16+
InChIKey
JWAUGXXRJKZYBD-CAPFRKAQSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.16
Rotatable bonds
6
H-bond acceptors
7
Molar refractivity
93.74
TPSA
94.5
LogP / Solubility
WLOGP
1.94
MLOGP
1.73
XLogP3
2.8
Consensus LogP
2.16
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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