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CAS 1227465-74-8 9-ethyl-2,9-diazaspiro[5.5]undecane(SALTDATA: FREE) molecular structure lightbox
CAS RN: 1227465-74-8

9-ethyl-2,9-diazaspiro[5.5]undecane(SALTDATA: FREE)

  • Product code: SSC-025933
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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 1227465-74-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1227465-74-8 / 9-ethyl-2,9-diazaspiro[5.5]undecane

Standard CAS: 1227465-74-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1227465-74-8
Multi CAS
No
Molecular Formula
C11H22N2
Molecular Weight
182.310000
Exact Mass
182.178299
SMILES
CCN1CCC2(CCCNC2)CC1
InChI
InChI=1S/C11H22N2/c1-2-13-8-5-11(6-9-13)4-3-7-12-10-11/h12H,2-10H2,1H3
InChIKey
NTLOBCCYUKSOHP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.88
TPSA
15.27

LogP / Solubility

WLOGP
1.47
MLOGP
1.29
XLogP3
1.3
Consensus LogP
1.35
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
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)
-2.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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