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CAS 28537-72-6 1,7-BIS(MALEIMIDE)HEPTANE molecular structure lightbox
CAS RN: 28537-72-6

1,7-BIS(MALEIMIDE)HEPTANE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250406 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS28537-72-6
  • Purity/Analytical Methods: >99.0%
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28537-72-6 / 1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione

Standard CAS: 28537-72-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
28537-72-6
Multi CAS
Yes
Molecular Formula
C15H18N2O4
Molecular Weight
290.310000
Exact Mass
290.126657
InChI
InChI=1S/C15H18N2O4/c18-12-6-7-13(19)16(12)10-4-2-1-3-5-11-17-14(20)8-9-15(17)21/h6-9H,1-5,10-11H2
InChIKey
BURPWGASPJJGEM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.47
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
74.81
TPSA
74.76

LogP / Solubility

WLOGP
0.79
MLOGP
0.7
XLogP3
0.7
Consensus LogP
0.73
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly 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)
-3.93

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
2.5

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