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CAS 1158750-89-0 2,7-Diaza-spiro[4.5]decan-3-one molecular structure lightbox
CAS RN: 1158750-89-0

2,7-Diaza-spiro[4.5]decan-3-one

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250531 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251101 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250328 250mg In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250508 5g In stock Shanghai Inquiry
  • Product code: SSC-015641
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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 1158750-89-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1158750-89-0 / 2,9-diazaspiro[4.5]decan-3-one

2,7-Diazaspiro[4.5]decan-3-one | DTXSID80712437 | 2,7-Diazaspiro(4.5)decan-3-one

Standard CAS: 1158750-89-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1158750-89-0
Multi CAS
No
Molecular Formula
C8H14N2O
Molecular Weight
154.210000
Exact Mass
154.110613
SMILES
C1CC2(CC(=O)NC2)CNC1
InChI
InChI=1S/C8H14N2O/c11-7-4-8(6-10-7)2-1-3-9-5-8/h9H,1-6H2,(H,10,11)
InChIKey
BBJZOKHHRARXIG-UHFFFAOYSA-N
Synonyms
2,7-Diazaspiro[4.5]decan-3-one DTXSID80712437 2,7-Diazaspiro(4.5)decan-3-one RefChem:248725 DTXCID90663183

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.16
TPSA
41.13

LogP / Solubility

WLOGP
-0.12
MLOGP
-0.11
XLogP3
-0.6
Consensus LogP
-0.28
Log S (ESOL)
-0.72
Class (ESOL)
Very soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.56
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)
-3.75

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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