[email protected]
CAS 1239478-87-5 5-(Di(adamantan-1-yl)phosphino)-1′,3′,5′-triphenyl-1’H-1,4′-bipyrazole molecular structure lightbox
CAS RN: 1239478-87-5

5-(Di(adamantan-1-yl)phosphino)-1′,3′,5′-triphenyl-1’H-1,4′-bipyrazole

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250731 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-027580
GET A QUOTE
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: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1239478-87-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Hong Kong Inquiry
0.25g >97% 5 In Stock Shenzhen Inquiry
1g >97% 5 In Stock Shenzhen Inquiry

1239478-87-5 / bis(1-adamantyl)-[2-(1,3,5-triphenylpyrazol-4-yl)pyrazol-3-yl]phosphane

Standard CAS: 1239478-87-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1239478-87-5
Multi CAS
No
Molecular Formula
C44H47N4P
Molecular Weight
662.800000
Exact Mass
662.353835
SMILES
C1C2CC3CC1CC(C2)(C3)P(C4=CC=NN4C5=C(N(N=C5C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C91CC2CC(C9)CC(C2)C1
InChI
InChI=1S/C44H47N4P/c1-4-10-36(11-5-1)40-42(41(37-12-6-2-7-13-37)47(46-40)38-14-8-3-9-15-38)48-39(16-17-45-48)49(43-24-30-18-31(25-43)20-32(19-30)26-43)44-27-33-21-34(28-44)23-35(22-33)29-44/h1-17,30-35H,18-29H2
InChIKey
IHFBOUNFWVRWAQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
49
Aromatic heavy atom count
28
Fraction Csp3
0.45
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
199.92
TPSA
35.64

LogP / Solubility

WLOGP
10.44
MLOGP
9.24
XLogP3
10.4
Consensus LogP
10.03
Log S (ESOL)
-10.49
Class (ESOL)
Insoluble
Log S (Ali)
-12.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.47
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)
0.65

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
10

Customers Also Viewed

Get In Touch

Contact Us