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CAS 1166393-85-6 PF 4618433 molecular structure lightbox
CAS RN: 1166393-85-6

PF 4618433

Product Availability

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251219 100mg In stock Shanghai Inquiry
Batchno.20250612 10mg In stock Shanghai Inquiry
Batchno.20250129 25mg In stock Shanghai Inquiry
Batchno.20250120 50mg In stock Shanghai Inquiry
Batchno.20260218 5mg In stock Shanghai Inquiry
Batchno.20250918 5mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-016586
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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 1166393-85-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

1166393-85-6 / 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(pyridin-3-yloxymethyl)-1H-pyrazol-3-yl]urea

PF-4618433 | PF4618433 | PF 4618433

Standard CAS: 1166393-85-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1166393-85-6
Multi CAS
No
Molecular Formula
C24H27N7O2
Molecular Weight
445.500000
Exact Mass
445.222623
SMILES
CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=NNC(=C3)COC4=CN=CC=C4
InChI
InChI=1S/C24H27N7O2/c1-16-7-9-18(10-8-16)31-22(13-20(30-31)24(2,3)4)27-23(32)26-21-12-17(28-29-21)15-33-19-6-5-11-25-14-19/h5-14H,15H2,1-4H3,(H3,26,27,28,29,32)
InChIKey
NJARPUHZDSAXPL-UHFFFAOYSA-N
Synonyms
PF-4618433 PF4618433 PF 4618433 1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(3-((pyridin-3-yloxy)methyl)-1H-pyrazol-5-yl)urea 1-[5-tert-butyl-2-(4-methylphenyl)-1,2-dihydro-3H-pyrazol-3-ylidene]-3-{3-[(pyridin-3-yloxy)methyl]-1H-pyrazol-5-yl}urea

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
22
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
3
Molar refractivity
126.8
TPSA
109.75

LogP / Solubility

WLOGP
4.82
MLOGP
4.27
XLogP3
3.9
Consensus LogP
4.33
Log S (ESOL)
-5.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.28
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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