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CAS 31247-23-1 5,8-Dioxa-2-thiaspiro[3.4]octane,2,2-dioxide molecular structure lightbox
CAS RN: 31247-23-1

5,8-Dioxa-2-thiaspiro[3.4]octane,2,2-dioxide

  • Product code: SSC-136519
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 31247-23-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

31247-23-1 / 5,8-dioxa-2lambda6-thiaspiro[3.4]octane 2,2-dioxide

Standard CAS: 31247-23-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31247-23-1
Multi CAS
Yes
Molecular Formula
C5H8O4S
Molecular Weight
164.180000
Exact Mass
164.014330
InChI
InChI=1S/C5H8O4S/c6-10(7)3-5(4-10)8-1-2-9-5/h1-4H2
InChIKey
LVBYRBVQEXEAQB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
4
Molar refractivity
33.29
TPSA
52.6

LogP / Solubility

WLOGP
-0.84
MLOGP
-0.75
XLogP3
-1.2
Consensus LogP
-0.93
Log S (ESOL)
-0.33
Class (ESOL)
Very soluble
Log S (Ali)
-0.3
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.03
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.32

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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