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CAS 88-53-9 5-Amino-2-chlorotoluene-4-sulfonic Acid molecular structure lightbox
CAS RN: 88-53-9

5-Amino-2-chlorotoluene-4-sulfonic Acid

Product Availability

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250508 100g Out of stock Inquiry
Batchno.20260114 25g In stock Inquiry
Batchno.20250120 25g / 100g Confirm by inquiry Shanghai Inquiry
Batchno.20260205 500g Out of stock Inquiry
Batchno.20260310 5g In stock Inquiry
  • Product code: SSC-198416
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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 88-53-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

88-53-9 / 2-amino-5-chloro-4-methylbenzenesulfonic acid

Standard CAS: 88-53-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
88-53-9
Multi CAS
Yes
Molecular Formula
C7H8CLNO3S
Molecular Weight
221.660000
Exact Mass
220.991342
InChI
InChI=1S/C7H8ClNO3S/c1-4-2-6(9)7(3-5(4)8)13(10,11)12/h2-3H,9H2,1H3,(H,10,11,12)
InChIKey
VYZCFAPUHSSYCC-UHFFFAOYSA-N

Physical Properties

Physical Description
Other Solid Solid; [IUCLID]
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.42
TPSA
80.39

LogP / Solubility

WLOGP
1.48
MLOGP
1.3
XLogP3
1.5
Consensus LogP
1.43
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-3.02

Drug-likeness / Medicinal Chemistry

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

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