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CAS 1935503-30-2 Tert-Butyl 10-Oxo-8-Oxa-2,11-Diazaspiro[5.6]Dodecane-2-Carboxylate(WX101401) molecular structure lightbox
CAS RN: 1935503-30-2

Tert-Butyl 10-Oxo-8-Oxa-2,11-Diazaspiro[5.6]Dodecane-2-Carboxylate(WX101401)

  • Product code: SSC-091163
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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: 1g
  • 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 1935503-30-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g 95%+ 0 Out of Stock Hong Kong Inquiry

1935503-30-2 / tert-butyl 10-oxo-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxylate

Standard CAS: 1935503-30-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1935503-30-2
Multi CAS
No
Molecular Formula
C14H24N2O4
Molecular Weight
284.350000
Exact Mass
284.173607
SMILES
CC(C)(C)OC(=O)N1CCCC2(C1)CNC(=O)COC2
InChI
InChI=1S/C14H24N2O4/c1-13(2,3)20-12(18)16-6-4-5-14(9-16)8-15-11(17)7-19-10-14/h4-10H2,1-3H3,(H,15,17)
InChIKey
XTAVVWXELPHGMU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
73.3
TPSA
67.87

LogP / Solubility

WLOGP
1.15
MLOGP
1.02
XLogP3
0.7
Consensus LogP
0.96
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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