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CAS 155180-53-3 RU 59063 molecular structure lightbox
CAS RN: 155180-53-3

RU 59063

Product Availability

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8 package records8 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260607 100mg In stock Shanghai Inquiry
Batchno.20251110 1g In stock Shanghai Inquiry
Batchno.20250510 1mg In stock Shanghai Inquiry
Batchno.20250703 250mg In stock Shanghai Inquiry
Batchno.20250530 25mg In stock Shanghai Inquiry
Batchno.20251012 25mg / 50mg / 250mg Confirm by inquiry Shanghai Inquiry
Batchno.20260530 50mg In stock Shanghai Inquiry
Batchno.20260306 5mg In stock Shanghai Inquiry
  • Product code: SSC-064483
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 155180-53-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Hong Kong Inquiry
0.25g >97% 5 In Stock Hong Kong Inquiry
1g >97% 1 In Stock Shanghai Inquiry

155180-53-3 / 4-[3-(4-hydroxybutyl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile

Standard CAS: 155180-53-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
155180-53-3
Multi CAS
No
Molecular Formula
C17H18F3N3O2S
Molecular Weight
385.400000
Exact Mass
385.107182
SMILES
CC1(C(=O)N(C(=S)N1CCCCO)C2=CC(=C(C=C2)C#N)C(F)(F)F)C
InChI
InChI=1S/C17H18F3N3O2S/c1-16(2)14(25)23(15(26)22(16)7-3-4-8-24)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,24H,3-4,7-8H2,1-2H3
InChIKey
FIDNKDVRTLFETI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
93.35
TPSA
67.57

LogP / Solubility

WLOGP
3.06
MLOGP
2.72
XLogP3
2.7
Consensus LogP
2.83
Log S (ESOL)
-4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.31
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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