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CAS 287383-59-9 SCRIPTAID molecular structure lightbox
CAS RN: 287383-59-9

SCRIPTAID

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5 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260522 100mg Out of stock Inquiry
Batchno.20260126 1g Out of stock Inquiry
Batchno.20260107 1mg / 5mg / 25mg / 100mg Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20251124 250mg Out of stock Inquiry
Batchno.20260209 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS287383-59-9
  • Purity/Analytical Methods: >99.0%
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287383-59-9 / 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamide

Standard CAS: 287383-59-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
287383-59-9
Multi CAS
Yes
Molecular Formula
C18H18N2O4
Molecular Weight
326.300000
Exact Mass
326.126657
InChI
InChI=1S/C18H18N2O4/c21-15(19-24)10-2-1-3-11-20-17(22)13-8-4-6-12-7-5-9-14(16(12)13)18(20)23/h4-9,24H,1-3,10-11H2,(H,19,21)
InChIKey
JTDYUFSDZATMKU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
10
Fraction Csp3
0.28
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
87.71
TPSA
86.71

LogP / Solubility

WLOGP
2.5
MLOGP
2.22
XLogP3
2
Consensus LogP
2.24
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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