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CAS 460050-74-2 (2S,5S)-3-Methyl-2-phenyl-5-(phenylMethyl)-4-IMidazolidinone molecular structure lightbox
CAS RN: 460050-74-2

(2S,5S)-3-Methyl-2-phenyl-5-(phenylMethyl)-4-IMidazolidinone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250604 25mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS460050-74-2
  • Purity/Analytical Methods: >99.0%
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460050-74-2 / (2S,5S)-5-benzyl-3-methyl-2-phenylimidazolidin-4-one

Standard CAS: 460050-74-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
460050-74-2
Multi CAS
No
Molecular Formula
C17H18N2O
Molecular Weight
266.340000
Exact Mass
266.141913
InChI
InChI=1S/C17H18N2O/c1-19-16(14-10-6-3-7-11-14)18-15(17(19)20)12-13-8-4-2-5-9-13/h2-11,15-16,18H,12H2,1H3/t15-,16-/m0/s1
InChIKey
SRAHHTPNHRABOU-HOTGVXAUSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
79.02
TPSA
32.34

LogP / Solubility

WLOGP
2.36
MLOGP
2.08
XLogP3
2.7
Consensus LogP
2.38
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67

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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