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CAS 121-58-4 4-(dimethylamino)benzenesulphonic acid molecular structure lightbox
CAS RN: 121-58-4

4-(dimethylamino)benzenesulphonic acid

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250507 1g In stock Inquiry
Batchno.20250304 250mg In stock Inquiry
Batchno.20250213 25g Out of stock Inquiry
Batchno.20260323 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260423 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250917 250mg In stock Shanghai, Wuhan Inquiry
Batchno.20250524 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260331 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-022344
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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: 5g
  • 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 121-58-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

121-58-4 / 4-(dimethylamino)benzenesulfonic acid

Benzenesulfonic acid, 4-(dimethylamino)- | Sulfanilic acid, N,N-dimethyl- | AI3-17668

Standard CAS: 121-58-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
121-58-4
Multi CAS
Yes
Molecular Formula
C8H11NO3S
Molecular Weight
201.250000
Exact Mass
201.045964
SMILES
CN(C)C1=CC=C(C=C1)S(=O)(=O)O
InChI
InChI=1S/C8H11NO3S/c1-9(2)7-3-5-8(6-4-7)13(10,11)12/h3-6H,1-2H3,(H,10,11,12)
InChIKey
KZVBBVPCVQEVQK-UHFFFAOYSA-N
Synonyms
Benzenesulfonic acid, 4-(dimethylamino)- Sulfanilic acid, N,N-dimethyl- AI3-17668 NSC 3540 EINECS 204-483-0

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.58
TPSA
57.61

LogP / Solubility

WLOGP
1
MLOGP
0.88
XLogP3
0.9
Consensus LogP
0.93
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24

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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