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CAS 1021176-73-7 1,4′-Bi-1H-pyrazole, 5-(diphenylphosphino)-1′,3′,5′-triphenyl- molecular structure lightbox
CAS RN: 1021176-73-7

1,4′-Bi-1H-pyrazole, 5-(diphenylphosphino)-1′,3′,5′-triphenyl-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251230 1g Out of stock 15 business days Inquiry
  • Product code: SSC-003379
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.25g, 5g, 0.1g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1021176-73-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 4 In Stock Shenzhen Inquiry
0.25g >95% 3 In Stock Hong Kong Inquiry
5g >95% 3 In Stock Shanghai Inquiry
0.1g >95% 2 In Stock Beijing Inquiry

1021176-73-7 / diphenyl-[2-(1,3,5-triphenylpyrazol-4-yl)pyrazol-3-yl]phosphane

MFCD35054542 | 5-(DIPHENYLPHOSPHINO)-1',3',5'-TRIPHENYL-1'H-1,4'-BIPYRAZOLE | 5-( Diphenylphosphino)-1',3',5'-triphenyl

Standard CAS: 1021176-73-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1021176-73-7
Multi CAS
No
Molecular Formula
C36H27N4P
Molecular Weight
546.600000
Exact Mass
546.197334
SMILES
C1=CC=C(C=C1)C2=C(C(=NN2C3=CC=CC=C3)C4=CC=CC=C4)N5C(=CC=N5)P(C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C36H27N4P/c1-6-16-28(17-7-1)34-36(35(29-18-8-2-9-19-29)39(38-34)30-20-10-3-11-21-30)40-33(26-27-37-40)41(31-22-12-4-13-23-31)32-24-14-5-15-25-32/h1-27H
InChIKey
ZYUHDMXDGVTFIZ-UHFFFAOYSA-N
Synonyms
MFCD35054542 5-(DIPHENYLPHOSPHINO)-1',3',5'-TRIPHENYL-1'H-1,4'-BIPYRAZOLE 5-( Diphenylphosphino)-1',3',5'-triphenyl SY404611 G86530

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
40
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
170.26
TPSA
35.64

LogP / Solubility

WLOGP
7.15
MLOGP
6.33
XLogP3
8.2
Consensus LogP
7.23
Log S (ESOL)
-7.99
Class (ESOL)
Insoluble
Log S (Ali)
-9.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.99
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.98

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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