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CAS 391212-30-9 2-(2-(vinyloxy)ethoxy)isoindoline-1,3-dione molecular structure lightbox
CAS RN: 391212-30-9

2-(2-(vinyloxy)ethoxy)isoindoline-1,3-dione

  • Product code: SSC-146730
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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: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 391212-30-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

391212-30-9 / 2-(2-ethenoxyethoxy)isoindole-1,3-dione

Standard CAS: 391212-30-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
391212-30-9
Multi CAS
No
Molecular Formula
C12H11NO4
Molecular Weight
233.220000
Exact Mass
233.068808
InChI
InChI=1S/C12H11NO4/c1-2-16-7-8-17-13-11(14)9-5-3-4-6-10(9)12(13)15/h2-6H,1,7-8H2
InChIKey
VNKMDVSRTVGDKK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
59.04
TPSA
55.84

LogP / Solubility

WLOGP
1.37
MLOGP
1.21
XLogP3
2
Consensus LogP
1.53
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
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)
-3.17

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
1.5

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