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CAS 66364-71-4 Sulfasalazine IMpurity F molecular structure lightbox
CAS RN: 66364-71-4

Sulfasalazine IMpurity F

  • Product code: SSC-176029
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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: 0.25g
  • 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 66364-71-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

66364-71-4 / 2-hydroxy-3-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid

Standard CAS: 66364-71-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66364-71-4
Multi CAS
No
Molecular Formula
C18H14N4O5S
Molecular Weight
398.400000
Exact Mass
398.068491
InChI
InChI=1S/C18H14N4O5S/c23-17-14(18(24)25)4-3-5-15(17)21-20-12-7-9-13(10-8-12)28(26,27)22-16-6-1-2-11-19-16/h1-11,23H,(H,19,22)(H,24,25)
InChIKey
RQKGJJSJEOATBZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
3
Molar refractivity
100.73
TPSA
141.31

LogP / Solubility

WLOGP
3.7
MLOGP
3.28
XLogP3
-0.7
Consensus LogP
2.09
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.04
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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