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CAS 1960-88-9 1,3-Bis[4-(trifluoromethyl)phenyl]urea molecular structure lightbox
CAS RN: 1960-88-9

1,3-Bis[4-(trifluoromethyl)phenyl]urea

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250207 200mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-092638
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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: ≥98%
  • 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 1960-88-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

1960-88-9 / 1,3-bis[4-(trifluoromethyl)phenyl]urea

Standard CAS: 1960-88-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1960-88-9
Multi CAS
No
Molecular Formula
C15H10F6N2O
Molecular Weight
348.240000
Exact Mass
348.069732
SMILES
C1=CC(=CC=C1C(F)(F)F)NC(=O)NC2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C15H10F6N2O/c16-14(17,18)9-1-5-11(6-2-9)22-13(24)23-12-7-3-10(4-8-12)15(19,20)21/h1-8H,(H2,22,23,24)
InChIKey
PEXQIAHZLFTVJU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
75.53
TPSA
41.13

LogP / Solubility

WLOGP
5.37
MLOGP
4.74
XLogP3
4.8
Consensus LogP
4.97
Log S (ESOL)
-5.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.62
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.03

Drug-likeness / Medicinal Chemistry

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

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