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CAS 63450-43-1 o-Toluidine-4-sulfonic Acid Sodium Salt Tetrahydrate molecular structure lightbox
CAS RN: 63450-43-1

o-Toluidine-4-sulfonic Acid Sodium Salt Tetrahydrate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260427 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-173137
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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: ＞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 63450-43-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞95% 0 Out of Stock Hong Kong Inquiry

63450-43-1 / sodium 4-amino-3-methylbenzenesulfonate

Standard CAS: 63450-43-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
63450-43-1
Multi CAS
Yes
Molecular Formula
C7H8NNAO3S
Molecular Weight
209.200000
Exact Mass
209.012259
InChI
InChI=1S/C7H9NO3S.Na/c1-5-4-6(12(9,10)11)2-3-7(5)8;/h2-4H,8H2,1H3,(H,9,10,11);/q;+1/p-1
InChIKey
RVSNUNNCRYLEEM-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
43.55
TPSA
83.22

LogP / Solubility

WLOGP
-2.51
MLOGP
-2.21
XLogP3
-2.51
Consensus LogP
-2.41
Log S (ESOL)
0.17
Class (ESOL)
Highly soluble
Log S (Ali)
0.54
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.95
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)
-5.78

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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