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CAS 1159822-71-5 1-Benzyl-1,7-diaza-spiro[4.4]nonane 2HCl molecular structure lightbox
CAS RN: 1159822-71-5

1-Benzyl-1,7-diaza-spiro[4.4]nonane 2HCl

  • Product code: SSC-015900
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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: 0.1g, 0.25g, 1g, 5g
  • 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 1159822-71-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1159822-71-5 / 1-benzyl-1,7-diazaspiro[4.4]nonane;dihydrochloride

1-Benzyl-1,7-diazaspiro[4.4]nonane dihydrochloride | 1-Benzyl-1,7-diaza-spiro[4.4]nonane 2HCl | MFCD11501172

Standard CAS: 1159822-71-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1159822-71-5
Multi CAS
No
Molecular Formula
C14H22Cl2N2
Molecular Weight
289.200000
Exact Mass
288.116004
SMILES
C1CC2(CCNC2)N(C1)CC3=CC=CC=C3.Cl.Cl
InChI
InChI=1S/C14H20N2.2ClH/c1-2-5-13(6-3-1)11-16-10-4-7-14(16)8-9-15-12-14;;/h1-3,5-6,15H,4,7-12H2;2*1H
InChIKey
CSYVROLHNYLECJ-UHFFFAOYSA-N
Synonyms
1-Benzyl-1,7-diazaspiro[4.4]nonane dihydrochloride 1-Benzyl-1,7-diaza-spiro[4.4]nonane 2HCl MFCD11501172 1-benzyl-1,7-diazaspiro[4.4]nonane;dihydrochloride 1-Benzyl-1,7-diaza-spiro[4.4]nonane dihydrochloride

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
80.8
TPSA
15.27

LogP / Solubility

WLOGP
2.86
MLOGP
2.53
XLogP3
2.86
Consensus LogP
2.75
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly 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)
-2.46

Drug-likeness / Medicinal Chemistry

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

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