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CAS 163810-26-2 (R)-4-BENZYL-3-(4-METHYL-PENTANOYL)-OXAZOLIDIN-2-ONE molecular structure lightbox
CAS RN: 163810-26-2

(R)-4-BENZYL-3-(4-METHYL-PENTANOYL)-OXAZOLIDIN-2-ONE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250411 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS163810-26-2
  • Purity/Analytical Methods: >99.0%
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163810-26-2 / (4R)-4-benzyl-3-(4-methylpentanoyl)-1,3-oxazolidin-2-one

Standard CAS: 163810-26-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
163810-26-2
Multi CAS
No
Molecular Formula
C16H21NO3
Molecular Weight
275.340000
Exact Mass
275.152144
SMILES
CC(C)CCC(=O)N1[C@@H](COC1=O)CC2=CC=CC=C2
InChI
InChI=1S/C16H21NO3/c1-12(2)8-9-15(18)17-14(11-20-16(17)19)10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3/t14-/m1/s1
InChIKey
YYUTVRHBEQTSJS-CQSZACIVSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
76.2
TPSA
46.61

LogP / Solubility

WLOGP
3.01
MLOGP
2.66
XLogP3
3.3
Consensus LogP
2.99
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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