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CAS 1824026-93-8 5-Benzyl 2-Tert-Butyl 8-Oxo-2,5-Diazaspiro[3.5]Nonane-2,5-Dicarboxylate molecular structure lightbox
CAS RN: 1824026-93-8

5-Benzyl 2-Tert-Butyl 8-Oxo-2,5-Diazaspiro[3.5]Nonane-2,5-Dicarboxylate

  • Product code: SSC-084117
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1824026-93-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1824026-93-8 / 5-O-benzyl 2-O-tert-butyl 8-oxo-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate

Standard CAS: 1824026-93-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1824026-93-8
Multi CAS
No
Molecular Formula
C20H26N2O5
Molecular Weight
374.400000
Exact Mass
374.184172
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)CCN2C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C20H26N2O5/c1-19(2,3)27-17(24)21-13-20(14-21)11-16(23)9-10-22(20)18(25)26-12-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3
InChIKey
QFOIIWWYSARUDM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
98.11
TPSA
76.15

LogP / Solubility

WLOGP
2.98
MLOGP
2.64
XLogP3
1.6
Consensus LogP
2.41
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.81
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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