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CAS 55990-13-1 2-(3-AMINO-BENZENESULFONYLAMINO)-BENZOIC ACID molecular structure lightbox
CAS RN: 55990-13-1

2-(3-AMINO-BENZENESULFONYLAMINO)-BENZOIC ACID

  • Product code: SSC-163930
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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: 1g
  • 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 55990-13-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

55990-13-1 / 2-[(3-aminophenyl)sulfonylamino]benzoic acid

Standard CAS: 55990-13-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55990-13-1
Multi CAS
Yes
Molecular Formula
C13H12N2O4S
Molecular Weight
292.310000
Exact Mass
292.051778
InChI
InChI=1S/C13H12N2O4S/c14-9-4-3-5-10(8-9)20(18,19)15-12-7-2-1-6-11(12)13(16)17/h1-8,15H,14H2,(H,16,17)
InChIKey
GLOSXPMJTFDWRO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
75.06
TPSA
109.49

LogP / Solubility

WLOGP
1.77
MLOGP
1.57
XLogP3
1.8
Consensus LogP
1.71
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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