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CAS 1032-67-3 2-(2-oxo-2-phenylethyl)isoindole-1,3-dione molecular structure lightbox
CAS RN: 1032-67-3

2-(2-oxo-2-phenylethyl)isoindole-1,3-dione

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260511 100mg / 250mg / 1g / 5g / 10g Out of stock 8-10 business days Inquiry
  • Product code: SSC-004622
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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: ≥97%
  • 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 1032-67-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

1032-67-3 / 2-phenacylisoindole-1,3-dione

2-(2-oxo-2-phenylethyl)-1H-isoindole-1,3(2H)-dione | 2-(2-oxo-2-Phenylethyl)isoindoline-1,3-dione | 2-phenacylisoindole-1,3-dione

Standard CAS: 1032-67-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1032-67-3
Multi CAS
Yes
Molecular Formula
C16H11NO3
Molecular Weight
265.260000
Exact Mass
265.073893
SMILES
C1=CC=C(C=C1)C(=O)CN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C16H11NO3/c18-14(11-6-2-1-3-7-11)10-17-15(19)12-8-4-5-9-13(12)16(17)20/h1-9H,10H2
InChIKey
NJJQFZCOSJYBII-UHFFFAOYSA-N
Synonyms
2-(2-oxo-2-phenylethyl)-1H-isoindole-1,3(2H)-dione 2-(2-oxo-2-Phenylethyl)isoindoline-1,3-dione 2-phenacylisoindole-1,3-dione MFCD00086336 2-phthalimido-acetophenone

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
72.58
TPSA
54.45

LogP / Solubility

WLOGP
2.17
MLOGP
1.91
XLogP3
2.3
Consensus LogP
2.13
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
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)
-2.8

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
1.5

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