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CAS 1477740-44-5 8-Thia-2-azaspiro[4.5]decan-3-one, 8,8-dioxide molecular structure lightbox
CAS RN: 1477740-44-5

8-Thia-2-azaspiro[4.5]decan-3-one, 8,8-dioxide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250102 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1477740-44-5
  • Purity/Analytical Methods: >99.0%
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1477740-44-5 / 8,8-dioxo-8lambda6-thia-2-azaspiro[4.5]decan-3-one

Standard CAS: 1477740-44-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1477740-44-5
Multi CAS
No
Molecular Formula
C8H13NO3S
Molecular Weight
203.260000
Exact Mass
203.061614
SMILES
C1CS(=O)(=O)CCC12CC(=O)NC2
InChI
InChI=1S/C8H13NO3S/c10-7-5-8(6-9-7)1-3-13(11,12)4-2-8/h1-6H2,(H,9,10)
InChIKey
WXRCDHNXDAYFRK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.88
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.95
TPSA
63.24

LogP / Solubility

WLOGP
-0.3
MLOGP
-0.26
XLogP3
-0.8
Consensus LogP
-0.45
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.73
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)
-4.17

Drug-likeness / Medicinal Chemistry

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

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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