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CAS 503-40-2 Methanedisulphonic acid molecular structure lightbox
CAS RN: 503-40-2

Methanedisulphonic acid

  • Product code: SSC-156748
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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: 25g
  • Available purity: ＞97%
  • 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 503-40-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

503-40-2 / methanedisulfonic acid

Standard CAS: 503-40-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
503-40-2
Multi CAS
No
Molecular Formula
CH4O6S2
Molecular Weight
176.170000
Exact Mass
175.944930
InChI
InChI=1S/CH4O6S2/c2-8(3,4)1-9(5,6)7/h1H2,(H,2,3,4)(H,5,6,7)
InChIKey
OPUAWDUYWRUIIL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
27.96
TPSA
108.74

LogP / Solubility

WLOGP
-1.28
MLOGP
-1.13
XLogP3
-1.9
Consensus LogP
-1.44
Log S (ESOL)
0.01
Class (ESOL)
Highly soluble
Log S (Ali)
-0.08
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.02
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.7

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
1.5

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