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CAS 118995-17-8 (2S,4R)-3-Benzoyl-4-methyl-2-phenyl-5-oxazolidinone molecular structure lightbox
CAS RN: 118995-17-8

(2S,4R)-3-Benzoyl-4-methyl-2-phenyl-5-oxazolidinone

  • Product code: SSC-019217
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 118995-17-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shanghai Inquiry
0.25g >95% 5 In Stock Shenzhen Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g >95% 5 In Stock Shanghai Inquiry
10g >95% 5 In Stock Hong Kong Inquiry

118995-17-8 / (2S,4R)-3-benzoyl-4-methyl-2-phenyl-1,3-oxazolidin-5-one

3-BENZOYL-4-METHYL-2-PHENYL-1,3-OXAZOLIDIN-5-ONE | 3-Benzoyl-4-methyl-2-phenyl-5-oxazolidinone | 3-Benzoyl-4-methyl-2-phenyloxazolidin-5-one

Standard CAS: 118995-17-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
118995-17-8
Multi CAS
Yes
Molecular Formula
C17H15NO3
Molecular Weight
281.300000
Exact Mass
281.105193
SMILES
C[C@@H]1C(=O)O[C@H](N1C(=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H15NO3/c1-12-17(20)21-16(14-10-6-3-7-11-14)18(12)15(19)13-8-4-2-5-9-13/h2-12,16H,1H3/t12-,16+/m1/s1
InChIKey
XWBOGYZALFWLOF-WBMJQRKESA-N
Synonyms
3-BENZOYL-4-METHYL-2-PHENYL-1,3-OXAZOLIDIN-5-ONE 3-Benzoyl-4-methyl-2-phenyl-5-oxazolidinone 3-Benzoyl-4-methyl-2-phenyloxazolidin-5-one SCHEMBL1315509 XWBOGYZALFWLOF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
77.35
TPSA
46.61

LogP / Solubility

WLOGP
2.77
MLOGP
2.45
XLogP3
3.1
Consensus LogP
2.77
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly 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)
-2.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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