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CAS 22428-86-0 1,4-DITHIASPIRO[4.5]DECAN-8-OL molecular structure lightbox
CAS RN: 22428-86-0

1,4-DITHIASPIRO[4.5]DECAN-8-OL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250402 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS22428-86-0
  • Purity/Analytical Methods: >99.0%
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22428-86-0 / 1,4-dithiaspiro[4.5]decan-8-ol

Standard CAS: 22428-86-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22428-86-0
Multi CAS
No
Molecular Formula
C8H14OS2
Molecular Weight
190.300000
Exact Mass
190.048607
SMILES
C1CC2(CCC1O)SCCS2
InChI
InChI=1S/C8H14OS2/c9-7-1-3-8(4-2-7)10-5-6-11-8/h7,9H,1-6H2
InChIKey
LAURNNUYMVKSSO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.12
TPSA
20.23

LogP / Solubility

WLOGP
2.1
MLOGP
1.84
XLogP3
1.9
Consensus LogP
1.95
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-2.39

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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