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CAS 1029691-06-2 1H-Isoindole-1,3(2H)-dione, 2-(3-oxocyclopentyl)- molecular structure lightbox
CAS RN: 1029691-06-2

1H-Isoindole-1,3(2H)-dione, 2-(3-oxocyclopentyl)-

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250627 10g In stock Shanghai Inquiry
Batchno.20260205 1g In stock Shanghai, Tianjin Inquiry
Batchno.20251206 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20251108 25g In stock Shanghai Inquiry
Batchno.20250909 5g In stock Shanghai, Wuhan Inquiry
  • Product code: SSC-004322
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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 1029691-06-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1029691-06-2 / 2-(3-oxocyclopentyl)isoindole-1,3-dione

DTXSID30712402 | 2-(3-Oxocyclopentyl)-1H-isoindole-1,3(2H)-dione | RefChem:251725

Standard CAS: 1029691-06-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1029691-06-2
Multi CAS
No
Molecular Formula
C13H11NO3
Molecular Weight
229.230000
Exact Mass
229.073893
SMILES
C1CC(=O)CC1N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C13H11NO3/c15-9-6-5-8(7-9)14-12(16)10-3-1-2-4-11(10)13(14)17/h1-4,8H,5-7H2
InChIKey
RTIZJQCGWLDNKT-UHFFFAOYSA-N
Synonyms
DTXSID30712402 2-(3-Oxocyclopentyl)-1H-isoindole-1,3(2H)-dione RefChem:251725 DTXCID90663148 2-(3-Oxocyclopentyl)isoindoline-1,3-dione

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
59.59
TPSA
54.45

LogP / Solubility

WLOGP
1.4
MLOGP
1.24
XLogP3
0.8
Consensus LogP
1.15
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
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)
-3.12

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
2

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