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CAS 2092286-66-1 2-thiaspiro[3.3]heptane-6-carboxylic acid 2,2-dioxide molecular structure lightbox
CAS RN: 2092286-66-1

2-thiaspiro[3.3]heptane-6-carboxylic acid 2,2-dioxide

  • Product code: SSC-098938
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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 2092286-66-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2092286-66-1 / 2,2-dioxo-2lambda6-thiaspiro[3.3]heptane-6-carboxylic acid

Standard CAS: 2092286-66-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2092286-66-1
Multi CAS
No
Molecular Formula
C7H10O4S
Molecular Weight
190.220000
Exact Mass
190.029980
SMILES
C1C(CC12CS(=O)(=O)C2)C(=O)O
InChI
InChI=1S/C7H10O4S/c8-6(9)5-1-7(2-5)3-12(10,11)4-7/h5H,1-4H2,(H,8,9)
InChIKey
AUUBVSVUCMPSKW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.45
TPSA
71.44

LogP / Solubility

WLOGP
-0.1
MLOGP
-0.09
XLogP3
-0.5
Consensus LogP
-0.23
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-1.04
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)
-3.95

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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