[email protected]
CAS 22180-53-6 TRANS-DIBROMOBIS(TRIPHENYLPHOSPHINE)- molecular structure lightbox
CAS RN: 22180-53-6

TRANS-DIBROMOBIS(TRIPHENYLPHOSPHINE)-

  • Product code: SSC-106689
GET A QUOTE
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: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 22180-53-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

22180-53-6 / dibromopalladium;bis(triphenylphosphane)

Standard CAS: 22180-53-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22180-53-6
Multi CAS
No
Molecular Formula
C36H30Br2P2Pd
Molecular Weight
790.800000
Exact Mass
789.920380
SMILES
C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Br[Pd]Br
InChI
InChI=1S/2C18H15P.2BrH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;2*1H;/q;;;;+2/p-2
InChIKey
MCSDDEAMPOYJJI-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
36
Rotatable bonds
6
Molar refractivity
188.15
TPSA
0.0000

LogP / Solubility

WLOGP
8.58
MLOGP
7.62
XLogP3
8.58
Consensus LogP
8.26
Log S (ESOL)
-10.4
Class (ESOL)
Insoluble
Log S (Ali)
-12.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.64
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)
-1.45

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
5.5

Customers Also Viewed

Get In Touch

Contact Us