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CAS 352534-92-0 (S)-4,5,5-Triphenyloxazolidin-2-one molecular structure lightbox
CAS RN: 352534-92-0

(S)-4,5,5-Triphenyloxazolidin-2-one

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251016 50mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS352534-92-0
  • Purity/Analytical Methods: >99.0%
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352534-92-0 / 4,5,5-triphenyl-1,3-oxazolidin-2-one

Standard CAS: 352534-92-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
352534-92-0
Multi CAS
Yes
Molecular Formula
C21H17NO2
Molecular Weight
315.400000
Exact Mass
315.125929
InChI
InChI=1S/C21H17NO2/c23-20-22-19(16-10-4-1-5-11-16)21(24-20,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H,(H,22,23)/t19-/m0/s1
InChIKey
QCWBJFYOEHCELV-IBGZPJMESA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
92.46
TPSA
38.33

LogP / Solubility

WLOGP
4.41
MLOGP
3.9
XLogP3
4.3
Consensus LogP
4.2
Log S (ESOL)
-4.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.73
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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