[email protected]
CAS 79255-71-3 [1,4-BIS(DIPHENYLPHOSPHINO)BUTANE](1,5-CYCLOOCTADIENE)RHODIUM(I) TETRA-FLUOROBORATE molecular structure lightbox
CAS RN: 79255-71-3

[1,4-BIS(DIPHENYLPHOSPHINO)BUTANE](1,5-CYCLOOCTADIENE)RHODIUM(I) TETRA-FLUOROBORATE

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250529 100mg In stock Shanghai Inquiry
Batchno.20250109 100mg In stock Shanghai, Shandong Inquiry
Batchno.20260222 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260420 250mg In stock Shanghai Inquiry
Batchno.20250712 5g Out of stock Inquiry
  • Product code: starshine_CAS79255-71-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

79255-71-3 / (1Z,5Z)-cycloocta-1,5-diene;4-diphenylphosphanylbutyl(diphenyl)phosphane;rhodium;tetrafluoroborate

Standard CAS: 79255-71-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
79255-71-3
Multi CAS
Yes
Molecular Formula
BC36F4H40P2Rh
Molecular Weight
724.400000
Exact Mass
724.168940
InChI
InChI=1S/C28H28P2.C8H12.BF4.Rh/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h1-12,15-22H,13-14,23-24H2;1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7-;;
InChIKey
CMOFFTCAXGHJOA-ONEVTFJLSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
24
Fraction Csp3
0.22
Rotatable bonds
9
H-bond acceptors
5
Molar refractivity
184.05
TPSA
0.0000

LogP / Solubility

WLOGP
10
MLOGP
8.87
XLogP3
10
Consensus LogP
9.62
Log S (ESOL)
-10.44
Class (ESOL)
Insoluble
Log S (Ali)
-12.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.75
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)
-0.04

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

Customers Also Viewed

Get In Touch

Contact Us