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CAS 2896-24-4 1H-Benz[de]isoquinoline-1,3(2H)-dione,2-(phenylmethyl)- molecular structure lightbox
CAS RN: 2896-24-4

1H-Benz[de]isoquinoline-1,3(2H)-dione,2-(phenylmethyl)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250801 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2896-24-4
  • Purity/Analytical Methods: >99.0%
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2896-24-4 / 2-benzylbenzo[de]isoquinoline-1,3-dione

Standard CAS: 2896-24-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2896-24-4
Multi CAS
Yes
Molecular Formula
C19H13NO2
Molecular Weight
287.300000
Exact Mass
287.094629
InChI
InChI=1S/C19H13NO2/c21-18-15-10-4-8-14-9-5-11-16(17(14)15)19(22)20(18)12-13-6-2-1-3-7-13/h1-11H,12H2
InChIKey
OIADVGWFJUXPCK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.05
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
84.59
TPSA
37.38

LogP / Solubility

WLOGP
3.64
MLOGP
3.21
XLogP3
3.6
Consensus LogP
3.48
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
Class (SILICOS-IT)
Slightly 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)
-1.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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