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CAS 168399-08-4 (S)-1-benzyl 5-methyl 2-oxoimidazolidine-1,5-dicarboxylate molecular structure lightbox
CAS RN: 168399-08-4

(S)-1-benzyl 5-methyl 2-oxoimidazolidine-1,5-dicarboxylate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260513 1g / 5g / 10g Confirm by inquiry Shanghai 3-5 business days Inquiry
  • Product code: SSC-073396
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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, 0.1g, 0.25g, 5g
  • Available purity: ≥95%
  • 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 168399-08-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Beijing Inquiry
0.1g ≥95% 2 In Stock Shanghai Inquiry
0.25g ≥95% 2 In Stock Shenzhen Inquiry
5g ≥95% 2 In Stock Shanghai Inquiry

168399-08-4 / 1-O-benzyl 5-O-methyl (5S)-2-oxoimidazolidine-1,5-dicarboxylate

Standard CAS: 168399-08-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
168399-08-4
Multi CAS
No
Molecular Formula
C13H14N2O5
Molecular Weight
278.260000
Exact Mass
278.090272
SMILES
COC(=O)[C@@H]1CNC(=O)N1C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H14N2O5/c1-19-11(16)10-7-14-12(17)15(10)13(18)20-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,17)/t10-/m0/s1
InChIKey
YJKSBDJDSGYUKP-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
67.67
TPSA
84.94

LogP / Solubility

WLOGP
0.89
MLOGP
0.79
XLogP3
1
Consensus LogP
0.89
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.79

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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