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CAS 28121-73-5 benzyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate molecular structure lightbox
CAS RN: 28121-73-5

benzyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251109 100mg In stock Shanghai Inquiry
Batchno.20260212 1g In stock Shanghai Inquiry
Batchno.20260424 250mg In stock Shanghai Inquiry
Batchno.20260305 5g Out of stock Inquiry
  • Product code: SSC-128819
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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: 1
  • 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 28121-73-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

28121-73-5 / benzyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate

Standard CAS: 28121-73-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28121-73-5
Multi CAS
No
Molecular Formula
C15H17N3O4
Molecular Weight
303.310000
Exact Mass
303.121906
SMILES
C1CN(CCC12C(=O)NC(=O)N2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C15H17N3O4/c19-12-15(17-13(20)16-12)6-8-18(9-7-15)14(21)22-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,16,17,19,20)
InChIKey
HGOPYEWWZGZVJI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
76.84
TPSA
87.74

LogP / Solubility

WLOGP
1
MLOGP
0.89
XLogP3
0.7
Consensus LogP
0.86
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-3.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5

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