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CAS 61960-57-4 3-MALEIMIDOBENZOIC ACID CHLORIDE molecular structure lightbox
CAS RN: 61960-57-4

3-MALEIMIDOBENZOIC ACID CHLORIDE

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260601 100mg In stock Inquiry
Batchno.20251011 500mg In stock Inquiry
  • Product code: starshine_CAS61960-57-4
  • Purity/Analytical Methods: >99.0%
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61960-57-4 / 3-(2,5-dioxopyrrol-1-yl)benzoyl chloride

Standard CAS: 61960-57-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61960-57-4
Multi CAS
Yes
Molecular Formula
C11H6CLNO3
Molecular Weight
235.620000
Exact Mass
235.003621
InChI
InChI=1S/C11H6ClNO3/c12-11(16)7-2-1-3-8(6-7)13-9(14)4-5-10(13)15/h1-6H
InChIKey
CIHNCGJBKQNXOG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
58.26
TPSA
54.45

LogP / Solubility

WLOGP
1.49
MLOGP
1.32
XLogP3
1.6
Consensus LogP
1.47
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-3.1

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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