[email protected]
CAS 104889-13-6 bis(tert-butyldicylcohexylphosphine)dichloropalladium(II) molecular structure lightbox
CAS RN: 104889-13-6

bis(tert-butyldicylcohexylphosphine)dichloropalladium(II)

  • Product code: SSC-006608
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: 1g
  • 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 104889-13-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

104889-13-6 / bis(tert-butyl(dicyclohexyl)phosphane);dichloropalladium

RefChem:569279 | bis(tert-butyldicylcohexylphosphine)dichloropalladium(II) | 813-741-7

Standard CAS: 104889-13-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
104889-13-6
Multi CAS
No
Molecular Formula
C32H62Cl2P2Pd
Molecular Weight
686.100000
Exact Mass
684.273860
SMILES
CC(C)(C)P(C1CCCCC1)C2CCCCC2.CC(C)(C)P(C1CCCCC1)C2CCCCC2.Cl[Pd]Cl
InChI
InChI=1S/2C16H31P.2ClH.Pd/c2*1-16(2,3)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15;;;/h2*14-15H,4-13H2,1-3H3;2*1H;/q;;;;+2/p-2
InChIKey
OMJWQFNHIXGKJO-UHFFFAOYSA-L
Synonyms
RefChem:569279 bis(tert-butyldicylcohexylphosphine)dichloropalladium(II) 813-741-7 SCHEMBL28574421 (SP-4-1)-Dichlorobis[dicyclohexyl(1,1-dimethylethyl)phosphine]palladium

Computed Properties

Structural Parameters

Heavy atom count
37
Fraction Csp3
1
Rotatable bonds
4
Molar refractivity
172.54
TPSA
0.0000

LogP / Solubility

WLOGP
13.24
MLOGP
11.71
XLogP3
13.24
Consensus LogP
12.73
Log S (ESOL)
-12.17
Class (ESOL)
Insoluble
Log S (Ali)
-14.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.59
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.5

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
4.5

Safety & Transport

Pictogram(s)
Flammable Irritant
Signal
Danger
GHS Hazard Statements
H228 (92%): Flammable solid [Danger Flammable solids] H302+H312+H332 (88%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (92%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (92%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P210, P240, P241, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, and P501

Customers Also Viewed

Get In Touch

Contact Us