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CAS 131274-16-3 1-[2-(2-Aminoethoxy)ethyl]maleimide-HCl molecular structure lightbox
CAS RN: 131274-16-3

1-[2-(2-Aminoethoxy)ethyl]maleimide-HCl

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250928 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS131274-16-3
  • Purity/Analytical Methods: >99.0%
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131274-16-3 / 1-[2-(2-aminoethoxy)ethyl]pyrrole-2,5-dione

Standard CAS: 131274-16-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
131274-16-3
Multi CAS
No
Molecular Formula
C8H12N2O3
Molecular Weight
184.190000
Exact Mass
184.084792
SMILES
C1=CC(=O)N(C1=O)CCOCCN
InChI
InChI=1S/C8H12N2O3/c9-3-5-13-6-4-10-7(11)1-2-8(10)12/h1-2H,3-6,9H2
InChIKey
BNOJEMQYBHYBBX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.73
TPSA
72.63

LogP / Solubility

WLOGP
-1.11
MLOGP
-0.98
XLogP3
-0.5
Consensus LogP
-0.86
Log S (ESOL)
0.05
Class (ESOL)
Highly soluble
Log S (Ali)
-0.27
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.53
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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