[email protected]
CAS 123839-28-1 trans-Bis(tricyclohexylphosphine)(2-methylphenyl)nickel(II) chloride >=95% molecular structure lightbox
CAS RN: 123839-28-1

trans-Bis(tricyclohexylphosphine)(2-methylphenyl)nickel(II) chloride >=95%

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251231 100mg In stock Shanghai Inquiry
Batchno.20251208 1g In stock Tianjin Inquiry
Batchno.20250707 250mg In stock Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS123839-28-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

123839-28-1 / chloronickel;methylbenzene;bis(tricyclohexylphosphanium)

Standard CAS: 123839-28-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
123839-28-1
Multi CAS
No
Molecular Formula
C43H75ClNiP2+
Molecular Weight
748.100000
Exact Mass
746.438596
SMILES
CC1=CC=CC=[C-]1.C1CCC(CC1)[PH+](C2CCCCC2)C3CCCCC3.C1CCC(CC1)[PH+](C2CCCCC2)C3CCCCC3.Cl[Ni]
InChI
InChI=1S/2C18H33P.C7H7.ClH.Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;;/h2*16-18H,1-15H2;2-5H,1H3;1H;/q;;-1;;+1/p+1
InChIKey
RVIRJWDDPXBWOV-UHFFFAOYSA-O

Computed Properties

Structural Parameters

Heavy atom count
47
Aromatic heavy atom count
6
Fraction Csp3
0.86
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
213.74
TPSA
0.0000

LogP / Solubility

WLOGP
14.88
MLOGP
13.16
XLogP3
14.88
Consensus LogP
14.31
Log S (ESOL)
-13.55
Class (ESOL)
Insoluble
Log S (Ali)
-16.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.59
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)
3.28

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

Customers Also Viewed

Get In Touch

Contact Us