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CAS 253801-34-2 (E)-4-((2-chloro-4-hydroxyphenyl)diazenyl)benzenesulfonic acid molecular structure lightbox
CAS RN: 253801-34-2

(E)-4-((2-chloro-4-hydroxyphenyl)diazenyl)benzenesulfonic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250406 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-121311
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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 253801-34-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

253801-34-2 / 4-[(2-chloro-4-hydroxyphenyl)diazenyl]benzenesulfonic acid

Standard CAS: 253801-34-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
253801-34-2
Multi CAS
No
Molecular Formula
C12H9ClN2O4S
Molecular Weight
312.730000
Exact Mass
311.997156
SMILES
C1=CC(=CC=C1N=NC2=C(C=C(C=C2)O)Cl)S(=O)(=O)O
InChI
InChI=1S/C12H9ClN2O4S/c13-11-7-9(16)3-6-12(11)15-14-8-1-4-10(5-2-8)20(17,18)19/h1-7,16H,(H,17,18,19)
InChIKey
GQRUMXSXCFMAQE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
73.55
TPSA
99.32

LogP / Solubility

WLOGP
3.71
MLOGP
3.28
XLogP3
2.7
Consensus LogP
3.23
Log S (ESOL)
-4.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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