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CAS 1222780-33-7 TPPU molecular structure lightbox
CAS RN: 1222780-33-7

TPPU

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250805 10mg In stock Shanghai Inquiry
Batchno.20251223 1mg In stock Shanghai Inquiry
Batchno.20250531 25mg Out of stock Inquiry
Batchno.20251002 50mg In stock Shanghai Inquiry
Batchno.20250616 5mg In stock Shanghai Inquiry
Batchno.20250430 5mg / 10mg / 25mg / 100mg / 250mg Confirm by inquiry Shanghai, Shandong, Hebei, Guangdong Inquiry
  • Product code: SSC-025255
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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: 0.05g, 0.1g, 0.25g
  • Available purity: ≥99%
  • 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 1222780-33-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥99% 0 Out of Stock Shanghai Inquiry
0.1g ≥99% 0 Out of Stock Shanghai Inquiry
0.25g ≥99% 0 Out of Stock Hong Kong Inquiry

1222780-33-7 / 1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea

Standard CAS: 1222780-33-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1222780-33-7
Multi CAS
No
Molecular Formula
C16H20F3N3O3
Molecular Weight
359.340000
Exact Mass
359.145676
SMILES
CCC(=O)N1CCC(CC1)NC(=O)NC2=CC=C(C=C2)OC(F)(F)F
InChI
InChI=1S/C16H20F3N3O3/c1-2-14(23)22-9-7-12(8-10-22)21-15(24)20-11-3-5-13(6-4-11)25-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H2,20,21,24)
InChIKey
AAJMQTLFRTZCJK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
85.17
TPSA
70.67

LogP / Solubility

WLOGP
3.11
MLOGP
2.75
XLogP3
2.6
Consensus LogP
2.82
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
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)
-2.71

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H412 (97.4%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P316, P321, P330, P405, and P501

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