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CAS 117558-24-4 N-Cbz-4-Methyl-5-oxooxazolidine molecular structure lightbox
CAS RN: 117558-24-4

N-Cbz-4-Methyl-5-oxooxazolidine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250607 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-017411
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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: 1g, 5g, 0.25g, 0.1g
  • Available purity: ≥97%
  • Inventory rows with stock: 4
  • 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 117558-24-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Shenzhen Inquiry
5g ≥97% 5 In Stock Hong Kong Inquiry
0.25g ≥97% 2 In Stock Beijing Inquiry
0.1g ≥97% 1 In Stock Beijing Inquiry

117558-24-4 / benzyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate

N-Cbz-4-methyl-5-oxooxazolidine | benzyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate | MFCD23136866

Standard CAS: 117558-24-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
117558-24-4
Multi CAS
No
Molecular Formula
C12H13NO4
Molecular Weight
235.240000
Exact Mass
235.084458
SMILES
CC1C(=O)OCN1C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C12H13NO4/c1-9-11(14)17-8-13(9)12(15)16-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKey
RPPNACKXIUVYEF-UHFFFAOYSA-N
Synonyms
N-Cbz-4-methyl-5-oxooxazolidine benzyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate MFCD23136866 benzyl 4-methyl-5-oxo-oxazolidine-3-carboxylate NSC608193

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
58.89
TPSA
55.84

LogP / Solubility

WLOGP
1.53
MLOGP
1.35
XLogP3
1.8
Consensus LogP
1.56
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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