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CAS 191090-40-1 (R)-(+)-5,5-DIPHENYL-4-BENZYL-2-OXAZOLIDINONE molecular structure lightbox
CAS RN: 191090-40-1

(R)-(+)-5,5-DIPHENYL-4-BENZYL-2-OXAZOLIDINONE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260319 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS191090-40-1
  • Purity/Analytical Methods: >99.0%
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191090-40-1 / (4R)-4-benzyl-5,5-diphenyl-1,3-oxazolidin-2-one

Standard CAS: 191090-40-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
191090-40-1
Multi CAS
No
Molecular Formula
C22H19NO2
Molecular Weight
329.400000
Exact Mass
329.141579
SMILES
C1=CC=C(C=C1)C[C@@H]2C(OC(=O)N2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H19NO2/c24-21-23-20(16-17-10-4-1-5-11-17)22(25-21,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2,(H,23,24)/t20-/m1/s1
InChIKey
XVHANMSUSBZRCX-HXUWFJFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
97.21
TPSA
38.33

LogP / Solubility

WLOGP
4.28
MLOGP
3.78
XLogP3
4.8
Consensus LogP
4.29
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.83
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)
-1.69

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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