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CAS 20123-80-2 Calcium dobesilate molecular structure lightbox
CAS RN: 20123-80-2

Calcium dobesilate

  • Product code: SSC-094935
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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: 100g
  • 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 20123-80-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shenzhen Inquiry

20123-80-2 / calcium bis(2,5-dihydroxybenzenesulfonate)

Standard CAS: 20123-80-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
20123-80-2
Multi CAS
No
Molecular Formula
C12H10CaO10S2
Molecular Weight
418.400000
Exact Mass
417.934130
SMILES
C1=CC(=C(C=C1O)S(=O)(=O)[O-])O.C1=CC(=C(C=C1O)S(=O)(=O)[O-])O.[Ca+2]
InChI
InChI=1S/2C6H6O5S.Ca/c2*7-4-1-2-5(8)6(3-4)12(9,10)11;/h2*1-3,7-8H,(H,9,10,11);/q;;+2/p-2
InChIKey
QGNBTYAQAPLTMX-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
10
H-bond donors
4
Molar refractivity
81.22
TPSA
195.32

LogP / Solubility

WLOGP
-0.38
MLOGP
-0.31
XLogP3
-0.38
Consensus LogP
-0.36
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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