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CAS 91431-32-2 5-[(DIMETHYLAMINO)SULFONYL]-2-[(2-HYDROXYETHYL)AMINO]BENZOIC ACID molecular structure lightbox
CAS RN: 91431-32-2

5-[(DIMETHYLAMINO)SULFONYL]-2-[(2-HYDROXYETHYL)AMINO]BENZOIC ACID

  • Product code: SSC-204521
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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 91431-32-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

91431-32-2 / 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoic acid

Standard CAS: 91431-32-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
91431-32-2
Multi CAS
No
Molecular Formula
C11H16N2O5S
Molecular Weight
288.320000
Exact Mass
288.077993
InChI
InChI=1S/C11H16N2O5S/c1-13(2)19(17,18)8-3-4-10(12-5-6-14)9(7-8)11(15)16/h3-4,7,12,14H,5-6H2,1-2H3,(H,15,16)
InChIKey
RRUSSPCTEKRTSC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
69.85
TPSA
106.94

LogP / Solubility

WLOGP
0.04
MLOGP
0.05
XLogP3
0.4
Consensus LogP
0.16
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.29
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)
-4.45

Drug-likeness / Medicinal Chemistry

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

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