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CAS 1471-94-9 ETHYLENEDIAMINE-N,N’-BIS-ACETOACETAMIDE molecular structure lightbox
CAS RN: 1471-94-9

ETHYLENEDIAMINE-N,N’-BIS-ACETOACETAMIDE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260519 1g In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS1471-94-9
  • Purity/Analytical Methods: >99.0%
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1471-94-9 / 3-oxo-N-[2-(3-oxobutanoylamino)ethyl]butanamide

Standard CAS: 1471-94-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1471-94-9
Multi CAS
No
Molecular Formula
C10H16N2O4
Molecular Weight
228.240000
Exact Mass
228.111007
SMILES
CC(=O)CC(=O)NCCNC(=O)CC(=O)C
InChI
InChI=1S/C10H16N2O4/c1-7(13)5-9(15)11-3-4-12-10(16)6-8(2)14/h3-6H2,1-2H3,(H,11,15)(H,12,16)
InChIKey
KLZDEEDOBAPARF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.6
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
56.62
TPSA
92.34

LogP / Solubility

WLOGP
-0.82
MLOGP
-0.72
XLogP3
-1.4
Consensus LogP
-0.98
Log S (ESOL)
-0.27
Class (ESOL)
Very soluble
Log S (Ali)
-0.84
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.3
Class (SILICOS-IT)
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)
-4.7

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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