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CAS 435273-34-0 1H-Isoindole-4-carbonitrile,2,3-dihydro-1-oxo- molecular structure lightbox
CAS RN: 435273-34-0

1H-Isoindole-4-carbonitrile,2,3-dihydro-1-oxo-

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251217 100mg In stock Shanghai Inquiry
Batchno.20250328 1g In stock Shanghai Inquiry
Batchno.20251101 250mg In stock Shanghai Inquiry
  • Product code: SSC-151702
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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 435273-34-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

435273-34-0 / 1-oxo-2,3-dihydroisoindole-4-carbonitrile

Standard CAS: 435273-34-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
435273-34-0
Multi CAS
No
Molecular Formula
C9H6N2O
Molecular Weight
158.160000
Exact Mass
158.048013
InChI
InChI=1S/C9H6N2O/c10-4-6-2-1-3-7-8(6)5-11-9(7)12/h1-3H,5H2,(H,11,12)
InChIKey
BEUNOHDSYZHSFZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.11
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.33
TPSA
52.89

LogP / Solubility

WLOGP
0.8
MLOGP
0.7
XLogP3
0.5
Consensus LogP
0.67
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
Class (SILICOS-IT)
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
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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