CAS RN: 573718-56-6
(R)-(+)-2,2′,6,6′-TETRAMETHOXY-4,4′-BIS(DIPHENYLPHOSPHINO)-3,3′-BIPYRIDINE(1,5-CYCLOOCTADIENE)RHODIUM(I) TETRAFLUOROBORATE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260305 | 100mg | Out of stock | Inquiry |
- Product code: starshine_CAS573718-56-6
- Purity/Analytical Methods: >99.0%
573718-56-6 / (1Z,5Z)-cycloocta-1,5-diene;[3-(4-diphenylphosphanyl-2,6-dimethoxy-3-pyridinyl)-2,6-dimethoxy-4-pyridinyl]-diphenylphosphane;rhodium;tetrafluoroborate
Basic Information
CAS
573718-56-6
Multi CAS
Yes
Molecular Formula
BC46F4H46N2O4P2Rh
Molecular Weight
942.500000
Exact Mass
942.201690
InChI
InChI=1S/C38H34N2O4P2.C8H12.BF4.Rh/c1-41-33-25-31(45(27-17-9-5-10-18-27)28-19-11-6-12-20-28)35(37(39-33)43-3)36-32(26-34(42-2)40-38(36)44-4)46(29-21-13-7-14-22-29)30-23-15-8-16-24-30;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h5-26H,1-4H3;1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7-;;
InChIKey
JGBGWKDXLJSPBK-ONEVTFJLSA-N
Computed Properties
Structural Parameters
Heavy atom count
60
Aromatic heavy atom count
36
Fraction Csp3
0.17
Rotatable bonds
11
H-bond acceptors
6
Molar refractivity
238.02
TPSA
62.7
LogP / Solubility
WLOGP
9.66
MLOGP
8.59
XLogP3
9.66
Consensus LogP
9.3
Log S (ESOL)
-11.49
Class (ESOL)
Insoluble
Log S (Ali)
-14.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.13
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)
-1.61
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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