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CAS 88-64-2 4-Acetamido-2-aminobenzenesulfonic Acid molecular structure lightbox
CAS RN: 88-64-2

4-Acetamido-2-aminobenzenesulfonic Acid

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260629 10g In stock Shanghai Inquiry
Batchno.20250127 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250902 25g In stock Shanghai Inquiry
Batchno.20250418 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260701 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: ICTA1944
  • Purity/Analytical Methods: >98.0%(T)
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88-64-2 / 4-acetamido-2-aminobenzenesulfonic acid

Standard CAS: 88-64-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88-64-2
Multi CAS
Yes
Molecular Formula
C8H10N2O4S
Molecular Weight
230.240000
Exact Mass
230.036128
InChI
InChI=1S/C8H10N2O4S/c1-5(11)10-6-2-3-8(7(9)4-6)15(12,13)14/h2-4H,9H2,1H3,(H,10,11)(H,12,13,14)
InChIKey
FOINSAWEWXUXPQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
54.97
TPSA
109.49

LogP / Solubility

WLOGP
0.47
MLOGP
0.42
XLogP3
-0.3
Consensus LogP
0.2
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
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)
-3.79

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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