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CAS 228111-37-3 1-(1-Ethoxycarbonyl-4-piperidinyl)-4-phenyl-4-imidazolin-2-one molecular structure lightbox
CAS RN: 228111-37-3

1-(1-Ethoxycarbonyl-4-piperidinyl)-4-phenyl-4-imidazolin-2-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260603 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS228111-37-3
  • Purity/Analytical Methods: >99.0%
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228111-37-3 / ethyl 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate

Standard CAS: 228111-37-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
228111-37-3
Multi CAS
No
Molecular Formula
C17H21N3O3
Molecular Weight
315.370000
Exact Mass
315.158292
SMILES
CCOC(=O)N1CCC(CC1)N2C=C(NC2=O)C3=CC=CC=C3
InChI
InChI=1S/C17H21N3O3/c1-2-23-17(22)19-10-8-14(9-11-19)20-12-15(18-16(20)21)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,18,21)
InChIKey
RPAJKOOCLQUVJE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
11
Fraction Csp3
0.41
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
87.35
TPSA
67.33

LogP / Solubility

WLOGP
2.64
MLOGP
2.33
XLogP3
1.8
Consensus LogP
2.26
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.26
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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