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CAS 503431-81-0 (2S)-2-Ethyl-8-methyl-1-thia-4,8-diazaspiro[4,5]decan-3-one molecular structure lightbox
CAS RN: 503431-81-0

(2S)-2-Ethyl-8-methyl-1-thia-4,8-diazaspiro[4,5]decan-3-one

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260226 5mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS503431-81-0
  • Purity/Analytical Methods: >99.0%
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503431-81-0 / (2S)-2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one

Standard CAS: 503431-81-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
503431-81-0
Multi CAS
Yes
Molecular Formula
C10H18N2OS
Molecular Weight
214.330000
Exact Mass
214.113984
InChI
InChI=1S/C10H18N2OS/c1-3-8-9(13)11-10(14-8)4-6-12(2)7-5-10/h8H,3-7H2,1-2H3,(H,11,13)/t8-/m0/s1
InChIKey
PHOZOHFUXHPOCK-QMMMGPOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.27
TPSA
32.34

LogP / Solubility

WLOGP
1.05
MLOGP
0.93
XLogP3
1.4
Consensus LogP
1.13
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately 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)
-3.28

Drug-likeness / Medicinal Chemistry

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

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