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CAS 3518-88-5 Diethyl 3,3′-Iminodipropionate molecular structure lightbox
CAS RN: 3518-88-5

Diethyl 3,3′-Iminodipropionate

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260528 200mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250624 1g In stock Shanghai Inquiry
Batchno.20260621 250mg In stock Shanghai Inquiry
Batchno.20250422 5g In stock Shanghai Inquiry
  • Product code: ICTD4111
  • Purity/Analytical Methods: >98.0%(GC)(T)
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3518-88-5 / ethyl 3-[(3-ethoxy-3-oxopropyl)amino]propanoate

Standard CAS: 3518-88-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3518-88-5
Multi CAS
No
Molecular Formula
C10H19NO4
Molecular Weight
217.260000
Exact Mass
217.131408
InChI
InChI=1S/C10H19NO4/c1-3-14-9(12)5-7-11-8-6-10(13)15-4-2/h11H,3-8H2,1-2H3
InChIKey
ONEIYJQBXMVMKU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
1
Molar refractivity
55.37
TPSA
64.63

LogP / Solubility

WLOGP
0.48
MLOGP
0.43
XLogP3
0.2
Consensus LogP
0.37
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.43
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)
-3.7

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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