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CAS 1203798-24-6 1,8-diazaspiro[5.5]undecan-7-one molecular structure lightbox
CAS RN: 1203798-24-6

1,8-diazaspiro[5.5]undecan-7-one

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251103 100mg Out of stock Inquiry
Batchno.20250523 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20260305 1g Out of stock Inquiry
Batchno.20260514 250mg Out of stock Inquiry
  • Product code: starshine_CAS1203798-24-6
  • Purity/Analytical Methods: >99.0%
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1203798-24-6 / 1,8-diazaspiro[5.5]undecan-7-one

1,8-Diazaspiro[5.5]undecan-7-one | MFCD26938012 | SCHEMBL21225285

Standard CAS: 1203798-24-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1203798-24-6
Multi CAS
No
Molecular Formula
C9H16N2O
Molecular Weight
168.240000
Exact Mass
168.126263
SMILES
C1CCNC2(C1)CCCNC2=O
InChI
InChI=1S/C9H16N2O/c12-8-9(5-3-6-10-8)4-1-2-7-11-9/h11H,1-7H2,(H,10,12)
InChIKey
VJPCXXOYSPTDTN-UHFFFAOYSA-N
Synonyms
1,8-Diazaspiro[5.5]undecan-7-one MFCD26938012 SCHEMBL21225285 AKOS032946860 AB90054

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.89
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.83
TPSA
41.13

LogP / Solubility

WLOGP
0.41
MLOGP
0.36
XLogP3
0.3
Consensus LogP
0.36
Log S (ESOL)
-1.14
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.09
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)
-3.46

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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