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CAS 24331-94-0 1,4-Dihydro-3(2H)-isoquinolinone molecular structure lightbox
CAS RN: 24331-94-0

1,4-Dihydro-3(2H)-isoquinolinone

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250409 1g In stock Inquiry
Batchno.20250517 250mg In stock Inquiry
Batchno.20251001 50mg In stock Inquiry
  • Product code: SSC-118553
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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: 0.25g
  • 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 24331-94-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry

24331-94-0 / 2,4-dihydro-1H-isoquinolin-3-one

Standard CAS: 24331-94-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24331-94-0
Multi CAS
No
Molecular Formula
C9H9NO
Molecular Weight
147.170000
Exact Mass
147.068414
SMILES
C1C2=CC=CC=C2CNC1=O
InChI
InChI=1S/C9H9NO/c11-9-5-7-3-1-2-4-8(7)6-10-9/h1-4H,5-6H2,(H,10,11)
InChIKey
MGZGPQCRWVOGFE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.99
TPSA
29.1

LogP / Solubility

WLOGP
0.86
MLOGP
0.75
XLogP3
0.7
Consensus LogP
0.77
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
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)
-3.01

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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