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CAS 254877-67-3 Ataciguat molecular structure lightbox
CAS RN: 254877-67-3

Ataciguat

Product Availability

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12 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250308 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250601 100mg Out of stock Inquiry
Batchno.20251114 1mg In stock Shanghai Inquiry
Batchno.20260515 250mg Out of stock Inquiry
Batchno.20250106 25mg Out of stock Inquiry
Batchno.20250730 50mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251022 100mg In stock Inquiry
Batchno.20260109 10mg In stock Inquiry
Batchno.20250102 1mg In stock Inquiry
Batchno.20250609 25mg In stock Inquiry
Batchno.20260417 50mg In stock Inquiry
Batchno.20250304 5mg In stock Inquiry
  • Product code: SSC-121452
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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 254877-67-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

254877-67-3 / 5-chloro-2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)benzamide

Standard CAS: 254877-67-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
254877-67-3
Multi CAS
No
Molecular Formula
C21H19Cl2N3O6S3
Molecular Weight
576.500000
Exact Mass
574.981304
SMILES
C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)Cl)NS(=O)(=O)C4=CC=C(S4)Cl
InChI
InChI=1S/C21H19Cl2N3O6S3/c22-14-1-6-18(25-34(28,29)20-8-7-19(23)33-20)17(13-14)21(27)24-15-2-4-16(5-3-15)35(30,31)26-9-11-32-12-10-26/h1-8,13,25H,9-12H2,(H,24,27)
InChIKey
PQHLRGARXNPFCF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
17
Fraction Csp3
0.19
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
2
Molar refractivity
135.56
TPSA
121.88

LogP / Solubility

WLOGP
4.13
MLOGP
3.68
XLogP3
4.2
Consensus LogP
4
Log S (ESOL)
-5.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.67
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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