![CAS 82499-43-2 (BICYCLO[2.2.1]HEPTA-2,5-DIENE)[1,4-BIS(DIPHENYLPHOSPHINO)BUTANE]RHODIUM(I) TETRAFLUOROBORATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/82499-43-2.gif)
CAS RN: 82499-43-2
(BICYCLO[2.2.1]HEPTA-2,5-DIENE)[1,4-BIS(DIPHENYLPHOSPHINO)BUTANE]RHODIUM(I) TETRAFLUOROBORATE
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260221 | 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS82499-43-2
- Purity/Analytical Methods: >99.0%
82499-43-2 / bicyclo[2.2.1]hepta-2,5-diene;4-diphenylphosphanylbutyl(diphenyl)phosphane;rhodium;tetrafluoroborate
Basic Information
CAS
82499-43-2
Multi CAS
Yes
Molecular Formula
BC35F4H36P2Rh
Molecular Weight
708.300000
Exact Mass
708.137640
InChI
InChI=1S/C28H28P2.C7H8.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;1-2-7-4-3-6(1)5-7;2-1(3,4)5;/h1-12,15-22H,13-14,23-24H2;1-4,6-7H,5H2;;/q;;-1;
InChIKey
DSKHASOFJSSKTD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
24
Fraction Csp3
0.2
Rotatable bonds
9
H-bond acceptors
5
Molar refractivity
177.17
TPSA
0.0000
LogP / Solubility
WLOGP
9.08
MLOGP
8.05
XLogP3
9.08
Consensus LogP
8.74
Log S (ESOL)
-9.77
Class (ESOL)
Insoluble
Log S (Ali)
-11.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.88
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)
-0.6
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
7.5
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