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CAS 33513-44-9 Disodium 4-Formylbenzene-1,3-disulfonate molecular structure lightbox
CAS RN: 33513-44-9

Disodium 4-Formylbenzene-1,3-disulfonate

  • Product code: SSC-139626
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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: 5g, 10g, 25g
  • Available purity: ≥97%
  • Inventory rows with stock: 3
  • 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 33513-44-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 2 In Stock Beijing Inquiry
10g ≥97% 2 In Stock Shanghai Inquiry
25g ≥97% 1 In Stock Shanghai Inquiry

33513-44-9 / disodium;4-formylbenzene-1,3-disulfonate

Standard CAS: 33513-44-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
33513-44-9
Multi CAS
Yes
Molecular Formula
C7H4NA2O7S2
Molecular Weight
310.200000
Exact Mass
309.919383
InChI
InChI=1S/C7H6O7S2.2Na/c8-4-5-1-2-6(15(9,10)11)3-7(5)16(12,13)14;;/h1-4H,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2
InChIKey
UUKHCUPMVISNFW-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
7
Molar refractivity
47.76
TPSA
131.47

LogP / Solubility

WLOGP
-6.68
MLOGP
-5.87
XLogP3
-6.68
Consensus LogP
-6.41
Log S (ESOL)
2.4
Class (ESOL)
Highly soluble
Log S (Ali)
2.72
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.51
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)
-9.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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