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CAS 15486-54-1 3,5-Methanocyclopent[d]-1,2-oxathiol-6-ol,hexahydro-,2,2-dioxide(9CI) molecular structure lightbox
CAS RN: 15486-54-1

3,5-Methanocyclopent[d]-1,2-oxathiol-6-ol,hexahydro-,2,2-dioxide(9CI)

  • Product code: SSC-064198
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g, 25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 12
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 15486-54-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Shanghai Inquiry
0.1g >95% 5 In Stock Beijing Inquiry
0.25g -- 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Hong Kong Inquiry
1g -- 5 In Stock Shenzhen Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g -- 5 In Stock Shenzhen Inquiry
5g >95% 5 In Stock Beijing Inquiry
10g -- 5 In Stock Shenzhen Inquiry
10g >95% 5 In Stock Shanghai Inquiry
25g >95% 5 In Stock Hong Kong Inquiry
100g >95% 5 In Stock Hong Kong Inquiry

15486-54-1 / 5,5-dioxo-4-oxa-5lambda6-thiatricyclo[4.2.1.03,7]nonan-2-ol

Standard CAS: 15486-54-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15486-54-1
Multi CAS
No
Molecular Formula
C7H10O4S
Molecular Weight
190.220000
Exact Mass
190.029980
SMILES
C1C2CC3C1C(C2O)OS3(=O)=O
InChI
InChI=1S/C7H10O4S/c8-6-3-1-4-5(2-3)12(9,10)11-7(4)6/h3-8H,1-2H2
InChIKey
FINFXYAYRYNUNQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
39.8
TPSA
63.6

LogP / Solubility

WLOGP
-0.52
MLOGP
-0.45
XLogP3
-0.3
Consensus LogP
-0.42
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.47
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)
-4.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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