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CAS 628333-86-8 1-[2-(Di-tert-butylphosphino)phenyl]-3,5-diphenyl-1H-pyrazole molecular structure lightbox
CAS RN: 628333-86-8

1-[2-(Di-tert-butylphosphino)phenyl]-3,5-diphenyl-1H-pyrazole

Product Availability

Choose a grade to view its available package options.

6 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250223 1g In stock Inquiry
Batchno.20250608 200mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260417 10g Out of stock Inquiry
Batchno.20250125 1g In stock Shanghai Inquiry
Batchno.20260111 250mg In stock Shanghai Inquiry
Batchno.20250120 5g In stock Shanghai Inquiry
  • Product code: SSC-172202
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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: 5g
  • Available purity: ＞97%
  • 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 628333-86-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

628333-86-8 / ditert-butyl-[2-(3,5-diphenylpyrazol-1-yl)phenyl]phosphane

Standard CAS: 628333-86-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
628333-86-8
Multi CAS
No
Molecular Formula
C29H33N2P
Molecular Weight
440.600000
Exact Mass
440.238136
InChI
InChI=1S/C29H33N2P/c1-28(2,3)32(29(4,5)6)27-20-14-13-19-25(27)31-26(23-17-11-8-12-18-23)21-24(30-31)22-15-9-7-10-16-22/h7-21H,1-6H3
InChIKey
JAIIBHBCNPAPPF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
23
Fraction Csp3
0.28
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
140.5
TPSA
17.82

LogP / Solubility

WLOGP
7.91
MLOGP
6.99
XLogP3
6.8
Consensus LogP
7.23
Log S (ESOL)
-7.82
Class (ESOL)
Insoluble
Log S (Ali)
-8.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.57
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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