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CAS 1192171-69-9 YP001 molecular structure lightbox
CAS RN: 1192171-69-9

YP001

Product Availability

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9 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250311 100mg In stock Inquiry
Batchno.20250103 25mg In stock Inquiry
Batchno.20251117 50mg In stock Inquiry
Batchno.20250428 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250716 100mg In stock Shanghai Inquiry
Batchno.20250312 1g Out of stock Inquiry
Batchno.20260404 250mg Out of stock Inquiry
Batchno.20250207 25mg In stock Shanghai Inquiry
Batchno.20250525 50mg In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-019717
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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 1192171-69-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

1192171-69-9 / 4-chloro-5-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-1-benzofuran-2-carboxylic acid

Vonafexor | XG6DG6A1UN | 2-Benzofurancarboxylic acid, 4-chloro-5-(4-((2,6-dichlorophenyl)sulfonyl)-1-piperazinyl)-

Standard CAS: 1192171-69-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1192171-69-9
Multi CAS
No
Molecular Formula
C19H15Cl3N2O5S
Molecular Weight
489.800000
Exact Mass
487.976726
SMILES
C1CN(CCN1C2=C(C3=C(C=C2)OC(=C3)C(=O)O)Cl)S(=O)(=O)C4=C(C=CC=C4Cl)Cl
InChI
InChI=1S/C19H15Cl3N2O5S/c20-12-2-1-3-13(21)18(12)30(27,28)24-8-6-23(7-9-24)14-4-5-15-11(17(14)22)10-16(29-15)19(25)26/h1-5,10H,6-9H2,(H,25,26)
InChIKey
XLGQSYUNOIJBNR-UHFFFAOYSA-N
Synonyms
Vonafexor XG6DG6A1UN 2-Benzofurancarboxylic acid, 4-chloro-5-(4-((2,6-dichlorophenyl)sulfonyl)-1-piperazinyl)- RefChem:1101024 4-Chloro-5-(4-((2,6-dichlorophenyl)sulfonyl)piperazin-1-yl)benzofuran-2-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
15
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
115.62
TPSA
91.06

LogP / Solubility

WLOGP
4.6
MLOGP
4.08
XLogP3
4.8
Consensus LogP
4.49
Log S (ESOL)
-5.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.14
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-2.44

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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