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CAS 1391062-35-3 Sulfasalazine EP Impurity A molecular structure lightbox
CAS RN: 1391062-35-3

Sulfasalazine EP Impurity A

  • Product code: SSC-049265
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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: 0.1g
  • 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 1391062-35-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Shenzhen Inquiry

1391062-35-3 / 4-[[4-hydroxy-3-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]phenyl]diazenyl]-N-pyridin-2-ylbenzenesulfonamide

Standard CAS: 1391062-35-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1391062-35-3
Multi CAS
No
Molecular Formula
C28H22N8O5S2
Molecular Weight
614.700000
Exact Mass
614.115458
SMILES
C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)N=NC4=CC=C(C=C4)S(=O)(=O)NC5=CC=CC=N5
InChI
InChI=1S/C28H22N8O5S2/c37-26-16-11-22(33-31-20-7-12-23(13-8-20)42(38,39)35-27-5-1-3-17-29-27)19-25(26)34-32-21-9-14-24(15-10-21)43(40,41)36-28-6-2-4-18-30-28/h1-19,37H,(H,29,35)(H,30,36)
InChIKey
ZUOKIDHOXLRZTG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
30
Rotatable bonds
10
H-bond acceptors
11
H-bond donors
3
Molar refractivity
159.43
TPSA
187.79

LogP / Solubility

WLOGP
6.61
MLOGP
5.87
XLogP3
0.8
Consensus LogP
4.43
Log S (ESOL)
-7.67
Class (ESOL)
Insoluble
Log S (Ali)
-9.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.35
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.77

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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