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CAS 1394011-91-6 UC2288 molecular structure lightbox
CAS RN: 1394011-91-6

UC2288

Product Availability

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251125 5mg / 10mg / 25mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251118 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251004 1g Out of stock Inquiry
Batchno.20250622 250mg Out of stock Inquiry
  • Product code: SSC-049993
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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: 0.25g
  • 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 1394011-91-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1394011-91-6 / 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]urea

Standard CAS: 1394011-91-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1394011-91-6
Multi CAS
No
Molecular Formula
C20H18ClF6N3O2
Molecular Weight
481.800000
Exact Mass
481.099174
SMILES
C1CC(CCC1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)OC3=NC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C20H18ClF6N3O2/c21-16-7-4-13(9-15(16)20(25,26)27)30-18(31)29-12-2-5-14(6-3-12)32-17-8-1-11(10-28-17)19(22,23)24/h1,4,7-10,12,14H,2-3,5-6H2,(H2,29,30,31)
InChIKey
ISPSOOYSNVVMMB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
104.52
TPSA
63.25

LogP / Solubility

WLOGP
6.28
MLOGP
5.56
XLogP3
5.6
Consensus LogP
5.81
Log S (ESOL)
-6.8
Class (ESOL)
Insoluble
Log S (Ali)
-8.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.49
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.2

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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