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CAS 2142-04-3 2-(4-METHOXY-PHENYL)-ISOINDOLE-1,3-DIONE molecular structure lightbox
CAS RN: 2142-04-3

2-(4-METHOXY-PHENYL)-ISOINDOLE-1,3-DIONE

  • Product code: SSC-102676
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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: 1g
  • 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 2142-04-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2142-04-3 / 2-(4-methoxyphenyl)isoindole-1,3-dione

Standard CAS: 2142-04-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2142-04-3
Multi CAS
No
Molecular Formula
C15H11NO3
Molecular Weight
253.250000
Exact Mass
253.073893
SMILES
COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C15H11NO3/c1-19-11-8-6-10(7-9-11)16-14(17)12-4-2-3-5-13(12)15(16)18/h2-9H,1H3
InChIKey
ZETLVSOYHDFNPZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
70.58
TPSA
46.61

LogP / Solubility

WLOGP
2.5
MLOGP
2.2
XLogP3
2.4
Consensus LogP
2.37
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
Class (SILICOS-IT)
Poorly 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)
-2.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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