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CAS 135380-50-6 2,7-Diazaspiro[3.5]nonane, 7-Methyl- molecular structure lightbox
CAS RN: 135380-50-6

2,7-Diazaspiro[3.5]nonane, 7-Methyl-

  • Product code: SSC-043616
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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 135380-50-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

135380-50-6 / 7-methyl-2,7-diazaspiro[3.5]nonane

Standard CAS: 135380-50-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
135380-50-6
Multi CAS
No
Molecular Formula
C8H16N2
Molecular Weight
140.230000
Exact Mass
140.131349
SMILES
CN1CCC2(CC1)CNC2
InChI
InChI=1S/C8H16N2/c1-10-4-2-8(3-5-10)6-9-7-8/h9H,2-7H2,1H3
InChIKey
QOIARYNCRPZCTG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.03
TPSA
15.27

LogP / Solubility

WLOGP
0.3
MLOGP
0.26
XLogP3
0.2
Consensus LogP
0.25
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.82
Class (SILICOS-IT)
Very 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)
-3.36

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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