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CAS 1203797-62-9 2,6-diazaspiro[3.4]octan-5-one molecular structure lightbox
CAS RN: 1203797-62-9

2,6-diazaspiro[3.4]octan-5-one

  • Product code: SSC-021340
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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 1203797-62-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1203797-62-9 / 2,6-diazaspiro[3.4]octan-5-one

2,6-diazaspiro[3.4]octan-5-one | 2,6-Diaza-spiro[3.4]octan-5-one | MFCD22372536

Standard CAS: 1203797-62-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1203797-62-9
Multi CAS
No
Molecular Formula
C6H10N2O
Molecular Weight
126.160000
Exact Mass
126.079313
SMILES
C1CNC(=O)C12CNC2
InChI
InChI=1S/C6H10N2O/c9-5-6(1-2-8-5)3-7-4-6/h7H,1-4H2,(H,8,9)
InChIKey
JAWNHGPWYMORFN-UHFFFAOYSA-N
Synonyms
2,6-diazaspiro[3.4]octan-5-one 2,6-Diaza-spiro[3.4]octan-5-one MFCD22372536 SCHEMBL20474650 SCHEMBL25389144

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.93
TPSA
41.13

LogP / Solubility

WLOGP
-0.9
MLOGP
-0.8
XLogP3
-1.2
Consensus LogP
-0.97
Log S (ESOL)
-0.05
Class (ESOL)
Very soluble
Log S (Ali)
0.06
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.27
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-4.13

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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