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CAS 82386-80-9 1,7-DIAZA-SPIRO[4.4]NONANE 2HCL molecular structure lightbox
CAS RN: 82386-80-9

1,7-DIAZA-SPIRO[4.4]NONANE 2HCL

  • Product code: SSC-190540
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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: ＞97%
  • 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 82386-80-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry

82386-80-9 / 1,7-diazaspiro[4.4]nonane;dihydrochloride

Standard CAS: 82386-80-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
82386-80-9
Multi CAS
Yes
Molecular Formula
C7H16CL2N2
Molecular Weight
199.120000
Exact Mass
198.069054
InChI
InChI=1S/C7H14N2.2ClH/c1-2-7(9-4-1)3-5-8-6-7;;/h8-9H,1-6H2;2*1H
InChIKey
WATXVKXAFDYVLK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.95
TPSA
24.06

LogP / Solubility

WLOGP
0.95
MLOGP
0.83
XLogP3
0.95
Consensus LogP
0.91
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
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)
-3.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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