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CAS 867006-13-1 2,9-Diazaspiro[5.5]undecane, 2-(phenylmethyl)- molecular structure lightbox
CAS RN: 867006-13-1

2,9-Diazaspiro[5.5]undecane, 2-(phenylmethyl)-

  • Product code: SSC-195961
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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 867006-13-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

867006-13-1 / 2-benzyl-2,9-diazaspiro[5.5]undecane

Standard CAS: 867006-13-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
867006-13-1
Multi CAS
Yes
Molecular Formula
C16H24N2
Molecular Weight
244.370000
Exact Mass
244.193949
InChI
InChI=1S/C16H24N2/c1-2-5-15(6-3-1)13-18-12-4-7-16(14-18)8-10-17-11-9-16/h1-3,5-6,17H,4,7-14H2
InChIKey
QIQMOZPPWNBFSR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
75.49
TPSA
15.27

LogP / Solubility

WLOGP
2.65
MLOGP
2.34
XLogP3
2.4
Consensus LogP
2.46
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly 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)
-2.33

Drug-likeness / Medicinal Chemistry

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

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