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CAS 154495-67-7 8-METHYL-2,8-DIAZASPIRO[4.5]DECAN-3-ONE molecular structure lightbox
CAS RN: 154495-67-7

8-METHYL-2,8-DIAZASPIRO[4.5]DECAN-3-ONE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251128 1g / 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS154495-67-7
  • Purity/Analytical Methods: >99.0%
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154495-67-7 / 8-methyl-2,8-diazaspiro[4.5]decan-3-one

Standard CAS: 154495-67-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
154495-67-7
Multi CAS
No
Molecular Formula
C9H16N2O
Molecular Weight
168.240000
Exact Mass
168.126263
SMILES
CN1CCC2(CC1)CC(=O)NC2
InChI
InChI=1S/C9H16N2O/c1-11-4-2-9(3-5-11)6-8(12)10-7-9/h2-7H2,1H3,(H,10,12)
InChIKey
VPRICBVWISBIQT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.89
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.79
TPSA
32.34

LogP / Solubility

WLOGP
0.22
MLOGP
0.19
XLogP3
-0.1
Consensus LogP
0.1
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.93
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)
-3.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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