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CAS 1391062-34-2 Sulfasalazine EP Impurity E molecular structure lightbox
CAS RN: 1391062-34-2

Sulfasalazine EP Impurity E

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260505 1mg Out of stock 15 business days Inquiry
  • Product code: SSC-049264
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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 1391062-34-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

1391062-34-2 / 2-hydroxy-3-[4-(pyridin-2-ylsulfamoyl)phenyl]-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid

Standard CAS: 1391062-34-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1391062-34-2
Multi CAS
No
Molecular Formula
C29H22N6O7S2
Molecular Weight
630.700000
Exact Mass
630.099139
SMILES
C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=C(C(=CC(=C3)N=NC4=CC=C(C=C4)S(=O)(=O)NC5=CC=CC=N5)C(=O)O)O
InChI
InChI=1S/C29H22N6O7S2/c36-28-24(19-7-11-22(12-8-19)43(39,40)34-26-5-1-3-15-30-26)17-21(18-25(28)29(37)38)33-32-20-9-13-23(14-10-20)44(41,42)35-27-6-2-4-16-31-27/h1-18,36H,(H,30,34)(H,31,35)(H,37,38)
InChIKey
JISAHTSZQJGNHD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
30
Rotatable bonds
10
H-bond acceptors
10
H-bond donors
4
Molar refractivity
161.21
TPSA
200.37

LogP / Solubility

WLOGP
5.56
MLOGP
4.95
XLogP3
0.7
Consensus LogP
3.74
Log S (ESOL)
-7.1
Class (ESOL)
Insoluble
Log S (Ali)
-8.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.58
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)
-2.62

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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