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CAS 5450-40-8 2-(2-HYDROXYETHYL)-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE molecular structure lightbox
CAS RN: 5450-40-8

2-(2-HYDROXYETHYL)-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250929 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-162194
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 5450-40-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 2 In Stock Shanghai Inquiry
0.1g >95% 2 In Stock Beijing Inquiry
0.25g -- 2 In Stock Beijing Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
1g -- 2 In Stock Shenzhen Inquiry
1g >95% 2 In Stock Hong Kong Inquiry

5450-40-8 / 2-(2-hydroxyethyl)benzo[de]isoquinoline-1,3-dione

Standard CAS: 5450-40-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5450-40-8
Multi CAS
Yes
Molecular Formula
C14H11NO3
Molecular Weight
241.240000
Exact Mass
241.073893
InChI
InChI=1S/C14H11NO3/c16-8-7-15-13(17)10-5-1-3-9-4-2-6-11(12(9)10)14(15)18/h1-6,16H,7-8H2
InChIKey
XKPZHSCHHBRGLY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.4
TPSA
57.61

LogP / Solubility

WLOGP
1.43
MLOGP
1.26
XLogP3
1.5
Consensus LogP
1.4
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-3.18

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
1.5

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